Ivosidenib
Properties
- Molecular formula
- C28H22ClF3N6O3
- Molar mass
- 582.97 g/mol
- Exact mass
- 582.1394 Da
- logP
- 5.16Crippen estimate
- Polar surface area
- 122.8 Ų
- H-bond donors / acceptors
- 1 / 6
- Rotatable bonds
- 7
- Stereocentres
- S, Sin SMILES atom order
Hazards
Danger
- H302 Harmful if swallowed50% of notifiers
- H360 May damage fertility or the unborn child50% of notifiers
- H360FD May damage fertility; May damage the unborn child25% of notifiers
- H361 Suspected of damaging fertility or the unborn child25% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure25% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers
Aggregated from 4 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
1448347-49-6SMILES
N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(O)=NC2CC(F)(F)C2)c2ccccc2Cl)c1InChIKey
WIJZXSAJMHAVGX-DHLKQENFSA-NInChI
InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Glycinamide, 1-(4-cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)-, (2S)-
- Glycinamide, N2-[1-(4-cyano-2-pyridinyl)-5-oxo-L-prolyl]-2-(2-chlorophenyl)-N1-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)-, (2S)-
- (2S)-N-{(1S)-1-(2-Chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
- AG 120
- TIBSOVO