1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one

C29H31ClN4O — CID 83286724

IUPAC1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(C(=O)C(C)C)CC4)n3c2)c1
InChIInChI=1S/C29H31ClN4O/c1-20(2)29(35)33-15-13-32(14-16-33)19-26-28(22-7-10-25(30)11-8-22)31-27-12-9-24(18-34(26)27)23-6-4-5-21(3)17-23/h4-12,17-18,20H,13-16,19H2,1-3H3
InChIKeySEPXNHTXZISXRH-UHFFFAOYSA-N
MW487.05 g/mol
LogP5.93
Rot. Bonds5

About 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 83286724) has the molecular formula C29H31ClN4O and a molecular weight of 487.05 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID83286724
Molecular FormulaC29H31ClN4O
Molecular Weight487.05 g/mol
Exact Mass486.22
IUPAC Name1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(C(=O)C(C)C)CC4)n3c2)c1
InChIInChI=1S/C29H31ClN4O/c1-20(2)29(35)33-15-13-32(14-16-33)19-26-28(22-7-10-25(30)11-8-22)31-27-12-9-24(18-34(26)27)23-6-4-5-21(3)17-23/h4-12,17-18,20H,13-16,19H2,1-3H3
InChIKeySEPXNHTXZISXRH-UHFFFAOYSA-N
XLogP5.93
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.05
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one (CID 83286724) is 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one is Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(C(=O)C(C)C)CC4)n3c2)c1.
What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is SEPXNHTXZISXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O/c1-20(2)29(35)33-15-13-32(14-16-33)19-26-28(22-7-10-25(30)11-8-22)31-27-12-9-24(18-34(26)27)23-6-4-5-21(3)17-23/h4-12,17-18,20H,13-16,19H2,1-3H3.
What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 487.05 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83286724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).