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

C24H21N3O3 — CID 162647706

IUPAC(Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one
SMILESCOc1ccc(N/C=C\C(=O)c2nc(-c3ccc(OC)cc3)n3ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c1-29-19-10-6-17(7-11-19)24-26-23(21-5-3-4-16-27(21)24)22(28)14-15-25-18-8-12-20(30-2)13-9-18/h3-16,25H,1-2H3/b15-14-
InChIKeyFVIKMBKAFLUWMD-PFONDFGASA-N
MW399.45 g/mol
LogP4.83
Rot. Bonds7

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

(Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one (PubChem CID 162647706) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one
PubChem CID162647706
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one
SMILESCOc1ccc(N/C=C\C(=O)c2nc(-c3ccc(OC)cc3)n3ccccc23)cc1
InChIInChI=1S/C24H21N3O3/c1-29-19-10-6-17(7-11-19)24-26-23(21-5-3-4-16-27(21)24)22(28)14-15-25-18-8-12-20(30-2)13-9-18/h3-16,25H,1-2H3/b15-14-
InChIKeyFVIKMBKAFLUWMD-PFONDFGASA-N
XLogP4.83
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Divaplon
CID 65822
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364
4-({2-[(2-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040783
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
4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22041319
N-methyl-4-[(2-{methyl[3-(pyridin-4-yl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 25137960
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one (CID 162647706) is (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one is COc1ccc(N/C=C\C(=O)c2nc(-c3ccc(OC)cc3)n3ccccc23)cc1.
What is the InChIKey of (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one?
The InChIKey is FVIKMBKAFLUWMD-PFONDFGASA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-19-10-6-17(7-11-19)24-26-23(21-5-3-4-16-27(21)24)22(28)14-15-25-18-8-12-20(30-2)13-9-18/h3-16,25H,1-2H3/b15-14-.
What are the key properties of (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one?
(Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one has a molecular weight of 399.45 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 162647706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).