(Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one

C23H18FN3O2 — CID 162663508

IUPAC(Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one
SMILESCOc1ccc(N/C=C\C(=O)c2nc(-c3ccc(F)cc3)n3ccccc23)cc1
InChIInChI=1S/C23H18FN3O2/c1-29-19-11-9-18(10-12-19)25-14-13-21(28)22-20-4-2-3-15-27(20)23(26-22)16-5-7-17(24)8-6-16/h2-15,25H,1H3/b14-13-
InChIKeyTWLOLMCLJLPERW-YPKPFQOOSA-N
MW387.41 g/mol
LogP4.96
Rot. Bonds6

About (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one

(Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one (PubChem CID 162663508) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one
PubChem CID162663508
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name(Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one
SMILESCOc1ccc(N/C=C\C(=O)c2nc(-c3ccc(F)cc3)n3ccccc23)cc1
InChIInChI=1S/C23H18FN3O2/c1-29-19-11-9-18(10-12-19)25-14-13-21(28)22-20-4-2-3-15-27(20)23(26-22)16-5-7-17(24)8-6-16/h2-15,25H,1H3/b14-13-
InChIKeyTWLOLMCLJLPERW-YPKPFQOOSA-N
XLogP4.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Divaplon
CID 65822
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
4-({2-[(cyclohexylmethyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040925
N-methyl-4-[(2-{methyl[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040937
1-Methyl-2-[3-(trifluoromethyl)phenylamino]-5-[2-(methylcarbamoyl)-4-pyridinyloxy]-1H-benzoimidazole
CID 22040941
N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041171
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one?
The IUPAC name of (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one (CID 162663508) is (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one?
The canonical SMILES for (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one is COc1ccc(N/C=C\C(=O)c2nc(-c3ccc(F)cc3)n3ccccc23)cc1.
What is the InChIKey of (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one?
The InChIKey is TWLOLMCLJLPERW-YPKPFQOOSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-29-19-11-9-18(10-12-19)25-14-13-21(28)22-20-4-2-3-15-27(20)23(26-22)16-5-7-17(24)8-6-16/h2-15,25H,1H3/b14-13-.
What are the key properties of (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one?
(Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one has a molecular weight of 387.41 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-3-(4-methoxyanilino)prop-2-en-1-one is sourced from PubChem (CID 162663508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).