(E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one

C19H18N2O2 — CID 43071444

IUPAC(E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
SMILESCOc1cc(C)ccc1C(=O)/C=C/c1nc(C)n2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13-7-8-15(19(12-13)23-3)18(22)10-9-16-17-6-4-5-11-21(17)14(2)20-16/h4-12H,1-3H3/b10-9+
InChIKeyOEQJYPJPPLQJFP-MDZDMXLPSA-N
MW306.37 g/mol
LogP3.86
Rot. Bonds4

About (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one

(E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one (PubChem CID 43071444) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
PubChem CID43071444
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
SMILESCOc1cc(C)ccc1C(=O)/C=C/c1nc(C)n2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13-7-8-15(19(12-13)23-3)18(22)10-9-16-17-6-4-5-11-21(17)14(2)20-16/h4-12H,1-3H3/b10-9+
InChIKeyOEQJYPJPPLQJFP-MDZDMXLPSA-N
XLogP3.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
CID 43071436
(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
6-methyl-2-[(E)-2-(3-methylimidazo[1,5-a]pyridin-1-yl)ethenyl]quinoline
CID 39319431
(E)-1-(2-methoxyphenyl)-3-(5-methyl-1H-imidazol-4-yl)prop-2-en-1-one
CID 14987253
ethyl 3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043507
2-[2-[(E)-3-(2-methoxy-4-methylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile
CID 24561849
1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 3425337
(E)-3-(2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 39387847
4-(2-methoxy-5-methylphenyl)-4-oxobut-2-enoic acid
CID 77055045
1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 140808569
[2-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
CID 3526792
1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone
CID 43802368

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one (CID 43071444) is (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one is COc1cc(C)ccc1C(=O)/C=C/c1nc(C)n2ccccc12.
What is the InChIKey of (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The InChIKey is OEQJYPJPPLQJFP-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-7-8-15(19(12-13)23-3)18(22)10-9-16-17-6-4-5-11-21(17)14(2)20-16/h4-12H,1-3H3/b10-9+.
What are the key properties of (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
(E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one has a molecular weight of 306.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 43071444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).