(E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one

C25H24N4O2 — CID 1318245

IUPAC(E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one
SMILESCOc1ccc(-n2cnc3nc(C)c(C(=O)/C=C/N(C)C)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C25H24N4O2/c1-17-22(21(30)14-15-28(2)3)23(18-8-6-5-7-9-18)24-25(27-17)26-16-29(24)19-10-12-20(31-4)13-11-19/h5-16H,1-4H3/b15-14+
InChIKeyZEYFLUBRUPJSHI-CCEZHUSRSA-N
MW412.49 g/mol
LogP4.66
Rot. Bonds6

About (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one (PubChem CID 1318245) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one
PubChem CID1318245
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one
SMILESCOc1ccc(-n2cnc3nc(C)c(C(=O)/C=C/N(C)C)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C25H24N4O2/c1-17-22(21(30)14-15-28(2)3)23(18-8-6-5-7-9-18)24-25(27-17)26-16-29(24)19-10-12-20(31-4)13-11-19/h5-16H,1-4H3/b15-14+
InChIKeyZEYFLUBRUPJSHI-CCEZHUSRSA-N
XLogP4.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenylphenyl]-7-(4-methoxyphenyl)purin-6-one
CID 70030178
7-(4-methoxyphenyl)-6-methylpurine
CID 134553225
1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one
CID 18754092
3-(dimethylamino)-1-(3-ethyl-5-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 72593344
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 3385049
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
(E)-3-(dimethylamino)-1-(2-methylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one;ethane
CID 169429292
1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
CID 45142068
3-(dimethylamino)-1-(2-methoxy-4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 69196415
3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
CID 175875241

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one (CID 1318245) is (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one is COc1ccc(-n2cnc3nc(C)c(C(=O)/C=C/N(C)C)c(-c4ccccc4)c32)cc1.
What is the InChIKey of (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one?
The InChIKey is ZEYFLUBRUPJSHI-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-22(21(30)14-15-28(2)3)23(18-8-6-5-7-9-18)24-25(27-17)26-16-29(24)19-10-12-20(31-4)13-11-19/h5-16H,1-4H3/b15-14+.
What are the key properties of (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one has a molecular weight of 412.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5-methyl-7-phenylimidazo[4,5-b]pyridin-6-yl]prop-2-en-1-one is sourced from PubChem (CID 1318245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).