1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone

C32H30N4O2S — CID 83272329

IUPAC1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)cc4)c(CN4CCN(C(=O)c5cccs5)CC4)n3c2)cc1
InChIInChI=1S/C32H30N4O2S/c1-22-5-7-26(8-6-22)31-28(21-34-15-17-35(18-16-34)32(38)29-4-3-19-39-29)36-20-27(13-14-30(36)33-31)25-11-9-24(10-12-25)23(2)37/h3-14,19-20H,15-18,21H2,1-2H3
InChIKeyBKPBZSZNOHJEMX-UHFFFAOYSA-N
MW534.69 g/mol
LogP6.20
Rot. Bonds6

About 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone

1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone (PubChem CID 83272329) has the molecular formula C32H30N4O2S and a molecular weight of 534.69 g/mol. Its IUPAC name is 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
PubChem CID83272329
Molecular FormulaC32H30N4O2S
Molecular Weight534.69 g/mol
Exact Mass534.21
IUPAC Name1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)cc4)c(CN4CCN(C(=O)c5cccs5)CC4)n3c2)cc1
InChIInChI=1S/C32H30N4O2S/c1-22-5-7-26(8-6-22)31-28(21-34-15-17-35(18-16-34)32(38)29-4-3-19-39-29)36-20-27(13-14-30(36)33-31)25-11-9-24(10-12-25)23(2)37/h3-14,19-20H,15-18,21H2,1-2H3
InChIKeyBKPBZSZNOHJEMX-UHFFFAOYSA-N
XLogP6.20
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 83285862
1-[4-[[6-(4-acetylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 83272328
1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 83272337
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
(4-methylphenyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83288876
1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 91634883
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 121309937
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83290005

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone (CID 83272329) is 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)cc4)c(CN4CCN(C(=O)c5cccs5)CC4)n3c2)cc1.
What is the InChIKey of 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone?
The InChIKey is BKPBZSZNOHJEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2S/c1-22-5-7-26(8-6-22)31-28(21-34-15-17-35(18-16-34)32(38)29-4-3-19-39-29)36-20-27(13-14-30(36)33-31)25-11-9-24(10-12-25)23(2)37/h3-14,19-20H,15-18,21H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone?
1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone has a molecular weight of 534.69 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone is sourced from PubChem (CID 83272329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).