(10R)-7-Amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-2H-4,8-methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile

C₂₁H₁₉FN₆O₂CAS 1454846-35-5406.42 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether Lactam Nitrile Primary amine

Properties

Molecular formula: C₂₁H₁₉FN₆O₂
Molar mass: 406.42 g/mol
Exact mass: 406.1554 Da
logP: 2.80Crippen estimate
Polar surface area: 110.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

Hazards

Warning

H341 Suspected of causing genetic defects75% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure75% of notifiers
H400 Very toxic to aquatic life25% of notifiers
H410 Very toxic to aquatic life with long lasting effects25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P273, P280, P318, P319, P391, P405, P501

Identifiers

CAS number

1454846-35-5

SMILES

C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21

InChIKey

IIXWYSCJSQVBQM-LLVKDONJSA-N

InChI

InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1

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Names and synonyms

5 names

2H-4,8-Methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, 7-amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-, (10R)-
PF 06463922
Lorlatinib
Lorbrena
Lorviqua

Work with (10R)-7-Amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo-2H-4,8-methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate1454848-00-046 % similar Methyl 2-[(1R)-1-[(2-aminopyridin-3-yl)oxy]ethyl]-4-fluorobenzoate1454847-99-441 % similar tert-Butyl N-[(4-bromo-5-cyano-1-methyl-1H-pyrazol-3-yl)methyl]-N-methylcarbamate1454848-24-832 % similar (S)-Crizotinib1374356-45-231 % similar Crizotinib877399-52-531 % similar Flumazenil78755-81-431 % similar (S)-5-Fluoro-3-methylisobenzofuran-1(3H)-one1803573-19-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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