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

C30H26ClN5O — CID 121309696

IUPAC[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C30H26ClN5O/c31-26-11-8-23(9-12-26)29-27(36-20-25(10-13-28(36)33-29)22-5-2-1-3-6-22)21-34-15-17-35(18-16-34)30(37)24-7-4-14-32-19-24/h1-14,19-20H,15-18,21H2
InChIKeyDJZBOQMKMDNKBE-UHFFFAOYSA-N
MW508.03 g/mol
LogP5.67
Rot. Bonds5

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

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 121309696) has the molecular formula C30H26ClN5O and a molecular weight of 508.03 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID121309696
Molecular FormulaC30H26ClN5O
Molecular Weight508.03 g/mol
Exact Mass507.18
IUPAC Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C30H26ClN5O/c31-26-11-8-23(9-12-26)29-27(36-20-25(10-13-28(36)33-29)22-5-2-1-3-6-22)21-34-15-17-35(18-16-34)30(37)24-7-4-14-32-19-24/h1-14,19-20H,15-18,21H2
InChIKeyDJZBOQMKMDNKBE-UHFFFAOYSA-N
XLogP5.67
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.03
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone (CID 121309696) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is DJZBOQMKMDNKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O/c31-26-11-8-23(9-12-26)29-27(36-20-25(10-13-28(36)33-29)22-5-2-1-3-6-22)21-34-15-17-35(18-16-34)30(37)24-7-4-14-32-19-24/h1-14,19-20H,15-18,21H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 508.03 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 121309696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).