[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C31H30N4OS — CID 83285862

IUPAC[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(C(=O)c5cccs5)CC4)n3c2)c1
InChIInChI=1S/C31H30N4OS/c1-22-10-11-23(2)26(19-22)25-12-13-29-32-30(24-7-4-3-5-8-24)27(35(29)20-25)21-33-14-16-34(17-15-33)31(36)28-9-6-18-37-28/h3-13,18-20H,14-17,21H2,1-2H3
InChIKeyOFUMUSYKEAVQJJ-UHFFFAOYSA-N
MW506.68 g/mol
LogP6.30
Rot. Bonds5

About [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 83285862) has the molecular formula C31H30N4OS and a molecular weight of 506.68 g/mol. Its IUPAC name is [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID83285862
Molecular FormulaC31H30N4OS
Molecular Weight506.68 g/mol
Exact Mass506.21
IUPAC Name[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(C(=O)c5cccs5)CC4)n3c2)c1
InChIInChI=1S/C31H30N4OS/c1-22-10-11-23(2)26(19-22)25-12-13-29-32-30(24-7-4-3-5-8-24)27(35(29)20-25)21-33-14-16-34(17-15-33)31(36)28-9-6-18-37-28/h3-13,18-20H,14-17,21H2,1-2H3
InChIKeyOFUMUSYKEAVQJJ-UHFFFAOYSA-N
XLogP6.30
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.68
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281402
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
1-[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281400
[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83285810
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
1-[4-[[6-(2,5-dimethylphenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 83276183
[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83276161
N-(2,6-dimethylphenyl)-4-[[6-(3-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
CID 83286760
3-[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 83276197
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 83285862) is [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(C(=O)c5cccs5)CC4)n3c2)c1.
What is the InChIKey of [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is OFUMUSYKEAVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4OS/c1-22-10-11-23(2)26(19-22)25-12-13-29-32-30(24-7-4-3-5-8-24)27(35(29)20-25)21-33-14-16-34(17-15-33)31(36)28-9-6-18-37-28/h3-13,18-20H,14-17,21H2,1-2H3.
What are the key properties of [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 506.68 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 83285862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).