Veliparib
Properties
- Molecular formula
- C13H16N4O
- Molar mass
- 244.30 g/mol
- Exact mass
- 244.1324 Da
- logP
- 1.26Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed98% of notifiers
- H341 Suspected of causing genetic defects98% of notifiers
- H361 Suspected of damaging fertility or the unborn child98% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure98% of notifiers
Aggregated from 49 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
912444-00-9SMILES
C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)NInChIKey
JNAHVYVRKWKWKQ-CYBMUJFWSA-NInChI
InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C13H17N4O 245.1397[M + Na]+
[M + Na]+ Calcd for C13H16N4NaO 267.1216[M − H]−
[M − H]− Calcd for C13H15N4O 243.1251Elemental analysis
Anal. Calcd for C13H16N4O: C, 63.91; H, 6.60; N, 22.93.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1H-Benzimidazole-7-carboxamide, 2-[(2R)-2-methyl-2-pyrrolidinyl]-
- 1H-Benzimidazole-4-carboxamide, 2-[(2R)-2-methyl-2-pyrrolidinyl]-
- 2-[(2R)-2-Methyl-2-pyrrolidinyl]-1H-benzimidazole-7-carboxamide
- A 861695
- ABT 888
- Veliparib ER
- 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
- 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
Work with Veliparib
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,3-Dimethoxybenzamide1521-39-732 % similar
Niraparib1038915-60-432 % similar
Phthalamide88-96-031 % similar
2-Methoxybenzamide2439-77-231 % similar
2,3-Dimethylbenzamide5580-34-731 % similar
2-(Methylamino)benzamide7505-81-931 % similar
Anthranilamide88-68-631 % similar
2-Chloronicotinamide10366-35-530 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.