chempirical

Niraparib

C19H20N4OCAS 1038915-60-4320.40 g/mol

Open in Covalent MOL file
NH2ONHNN
Secondary amine

Properties

Molecular formula
C19H20N4O
Molar mass
320.40 g/mol
Exact mass
320.1637 Da
logP
3.38Crippen estimate
Polar surface area
73.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1038915-60-4
SMILES
N=C(O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
InChIKey
PCHKPVIQAHNQLW-CQSZACIVSA-N
InChI
InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • 2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]-
  • 2-[4-(3S)-3-Piperidinylphenyl]-2H-indazole-7-carboxamide
  • 2H-Indazole-7-carboxamide 2-[4-(3S)-3-piperidinylphenyl]-
  • 2-[4-[(3S)-Piperidin-3-yl]phenyl]indazole-7-carboxamide

Work with Niraparib

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

Niraparib tosylate1038915-73-956 % similar 3-Phenylpiperidine3973-62-440 % similar 1-Naphthalenecarboxamide2243-81-432 % similar 3-Piperidinecarboxamide4138-26-530 % similar Naphthalamic acid5811-88-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-[(1E)-2-(2-Pyridinyl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine886230-76-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook