Capivasertib

C21H25ClN6O2CAS 1143532-39-1428.92 g/mol

Open in Covalent MOL file
NONHHOClH2NNNNH
AlcoholAmideAryl halidePrimary amineTertiary amine

Properties

Molecular formula
C21H25ClN6O2
Molar mass
428.92 g/mol
Exact mass
428.1728 Da
logP
2.15Crippen estimate
Polar surface area
120.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, P501

Identifiers

CAS number
1143532-39-1
SMILES
C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4
InChIKey
JDUBGYFRJFOXQC-KRWDZBQOSA-N
InChI
InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Azd5363

Work with Capivasertib

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

Oclacitinib maleate1208319-27-035 % similar Oclacitinib1208319-26-935 % similar 2-(7H-Pyrrolo[2,3-D]pyrimidin-4-yl)isoindoline-1,3-dione741686-49-732 % similar Epitofacitinib, (3R,4S)-1092578-46-532 % similar (3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile1092578-48-732 % similar Tofacitinib477600-75-232 % similar N-Methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine477600-74-132 % similar (S)-3-(4-Chlorophenyl)-beta-alaninol886061-26-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook