1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone

C43H40N6O4S — CID 157146129

IUPAC1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2cc(C)nn2C)cc1.COc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2cccs2)cc1
InChIInChI=1S/C22H22N4O2.C21H18N2O2S/c1-14-5-10-21-23-22(16-6-8-17(28-4)9-7-16)19(26(21)13-14)12-20(27)18-11-15(2)24-25(18)3;1-14-5-10-20-22-21(15-6-8-16(25-2)9-7-15)17(23(20)13-14)12-18(24)19-4-3-11-26-19/h5-11,13H,12H2,1-4H3;3-11,13H,12H2,1-2H3
InChIKeyAKSJJIDHXGMFQQ-UHFFFAOYSA-N
MW736.90 g/mol
LogP8.59
Rot. Bonds10

About 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone

1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone (PubChem CID 157146129) has the molecular formula C43H40N6O4S and a molecular weight of 736.90 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone
PubChem CID157146129
Molecular FormulaC43H40N6O4S
Molecular Weight736.90 g/mol
Exact Mass736.28
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2cc(C)nn2C)cc1.COc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2cccs2)cc1
InChIInChI=1S/C22H22N4O2.C21H18N2O2S/c1-14-5-10-21-23-22(16-6-8-17(28-4)9-7-16)19(26(21)13-14)12-20(27)18-11-15(2)24-25(18)3;1-14-5-10-20-22-21(15-6-8-16(25-2)9-7-15)17(23(20)13-14)12-18(24)19-4-3-11-26-19/h5-11,13H,12H2,1-4H3;3-11,13H,12H2,1-2H3
InChIKeyAKSJJIDHXGMFQQ-UHFFFAOYSA-N
XLogP8.59
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.90
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone with MolForge

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Related Compounds

4-methoxy-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
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3-[5-(Furan-3-yl)thiophen-2-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164610903
[4-[[2-(3-Methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 45970415
US10100058, Example 110
CID 134540003
Methyl 5-[7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 171343537
5-[7-(1-Methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
CID 171344874
Methyl 5-[7-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 171346655
Methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate
CID 171348500
Methyl 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate
CID 171351979
5-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
CID 171353264
5-[7-[1-[3-(4-Methylpiperazin-1-yl)propyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 171357313
2-[2-(3-Fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 159706096

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone (CID 157146129) is 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone is COc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2cc(C)nn2C)cc1.COc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2cccs2)cc1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone?
The InChIKey is AKSJJIDHXGMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C21H18N2O2S/c1-14-5-10-21-23-22(16-6-8-17(28-4)9-7-16)19(26(21)13-14)12-20(27)18-11-15(2)24-25(18)3;1-14-5-10-20-22-21(15-6-8-16(25-2)9-7-15)17(23(20)13-14)12-18(24)19-4-3-11-26-19/h5-11,13H,12H2,1-4H3;3-11,13H,12H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone?
1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone has a molecular weight of 736.90 g/mol, XLogP of 8.59, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanone;2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 157146129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).