(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 Halogen 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

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

Elsewhere

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