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

C23H19N3O2 — CID 162645774

IUPAC(Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
SMILESCOc1ccc(N/C=C\C(=O)c2nc(-c3ccccc3)n3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-28-19-12-10-18(11-13-19)24-15-14-21(27)22-20-9-5-6-16-26(20)23(25-22)17-7-3-2-4-8-17/h2-16,24H,1H3/b15-14-
InChIKeyDPQRQTGWQPLENI-PFONDFGASA-N
MW369.42 g/mol
LogP4.82
Rot. Bonds6

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

(Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one (PubChem CID 162645774) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
PubChem CID162645774
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
SMILESCOc1ccc(N/C=C\C(=O)c2nc(-c3ccccc3)n3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-28-19-12-10-18(11-13-19)24-15-14-21(27)22-20-9-5-6-16-26(20)23(25-22)17-7-3-2-4-8-17/h2-16,24H,1H3/b15-14-
InChIKeyDPQRQTGWQPLENI-PFONDFGASA-N
XLogP4.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.82
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
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
5-{[2-(Dimethylamino)ethyl]amino}-8-Methoxy-6h-Imidazo[4,5,1-De]acridin-6-One
CID 11681568
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
10-[2-(Diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 367850
WH2PZ15Ppn
CID 438550
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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one (CID 162645774) is (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one is COc1ccc(N/C=C\C(=O)c2nc(-c3ccccc3)n3ccccc23)cc1.
What is the InChIKey of (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The InChIKey is DPQRQTGWQPLENI-PFONDFGASA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-19-12-10-18(11-13-19)24-15-14-21(27)22-20-9-5-6-16-26(20)23(25-22)17-7-3-2-4-8-17/h2-16,24H,1H3/b15-14-.
What are the key properties of (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
(Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one has a molecular weight of 369.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyanilino)-1-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 162645774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).