(Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one

C29H22N2O — CID 15321695

IUPAC(Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one
SMILESCc1ccc2nc(-c3ccccc3)c(/C(=C\C(=O)c3ccccc3)c3ccccc3)n2c1
InChIInChI=1S/C29H22N2O/c1-21-17-18-27-30-28(24-15-9-4-10-16-24)29(31(27)20-21)25(22-11-5-2-6-12-22)19-26(32)23-13-7-3-8-14-23/h2-20H,1H3/b25-19-
InChIKeyDCCRCJFIOHGXJZ-PLRJNAJWSA-N
MW414.51 g/mol
LogP6.62
Rot. Bonds5

About (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one

(Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one (PubChem CID 15321695) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one
PubChem CID15321695
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name(Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one
SMILESCc1ccc2nc(-c3ccccc3)c(/C(=C\C(=O)c3ccccc3)c3ccccc3)n2c1
InChIInChI=1S/C29H22N2O/c1-21-17-18-27-30-28(24-15-9-4-10-16-24)29(31(27)20-21)25(22-11-5-2-6-12-22)19-26(32)23-13-7-3-8-14-23/h2-20H,1H3/b25-19-
InChIKeyDCCRCJFIOHGXJZ-PLRJNAJWSA-N
XLogP6.62
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,6-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 15768580
6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056508
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233
(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one
CID 171652295
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056527
N-(2-ethylphenyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84554895
6-benzylidene-12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 54070128
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
6-methyl-2-(4-methylphenyl)-N-(2-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84555081
1-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029395
N-cyclopropyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556412

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one (CID 15321695) is (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one is Cc1ccc2nc(-c3ccccc3)c(/C(=C\C(=O)c3ccccc3)c3ccccc3)n2c1.
What is the InChIKey of (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one?
The InChIKey is DCCRCJFIOHGXJZ-PLRJNAJWSA-N. The full InChI is InChI=1S/C29H22N2O/c1-21-17-18-27-30-28(24-15-9-4-10-16-24)29(31(27)20-21)25(22-11-5-2-6-12-22)19-26(32)23-13-7-3-8-14-23/h2-20H,1H3/b25-19-.
What are the key properties of (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one?
(Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one has a molecular weight of 414.51 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 15321695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).