Ribociclib

C₂₃H₃₀N₈OCAS 1211441-98-3434.55 g/mol

Open in Covalent MOL file

Amide Secondary amine Tertiary amine

Properties

Molecular formula: C₂₃H₃₀N₈O
Molar mass: 434.55 g/mol
Exact mass: 434.2543 Da
logP: 2.22Crippen estimate
Polar surface area: 94.4 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4

Hazards

Danger

H360 May damage fertility or the unborn child14.3% of notifiers
H360FD May damage fertility; May damage the unborn child57.1% of notifiers
H361d Suspected of damaging the unborn child14.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure42.9% of notifiers
H411 Toxic to aquatic life with long lasting effects85.7% of notifiers

Aggregated from 7 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

1211441-98-3

SMILES

CN(C)C(=O)c1cc2c[nH]c(=Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

InChIKey

RHXHGRAEPCAFML-UHFFFAOYSA-N

InChI

InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)

Weigh it out

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

Names and synonyms

4 names

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, 7-cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-
7-Cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
LEE 011
LEE 011A

Work with Ribociclib

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

2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide1211443-61-649 % similar Palbociclib571190-30-239 % similar Palbociclib hydrochloride827022-32-238 % similar Palbociclib isethionate827022-33-334 % similar 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid1211443-58-133 % similar tert-Butyl 4-(6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido(2,3-d)pyrimidin-2-ylamino)-pyridin-3-yl)-piperazine-1-carboxylate571188-82-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook