cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

C31H34N4O2 — CID 51066877

IUPACcyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C31H34N4O2/c1-37-27-13-7-12-25(20-27)30-28(22-33-16-18-34(19-17-33)31(36)24-10-5-6-11-24)35-21-26(14-15-29(35)32-30)23-8-3-2-4-9-23/h2-4,7-9,12-15,20-21,24H,5-6,10-11,16-19,22H2,1H3
InChIKeyQZAYFZMJECYVPP-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.51
Rot. Bonds6

About cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 51066877) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID51066877
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Namecyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C31H34N4O2/c1-37-27-13-7-12-25(20-27)30-28(22-33-16-18-34(19-17-33)31(36)24-10-5-6-11-24)35-21-26(14-15-29(35)32-30)23-8-3-2-4-9-23/h2-4,7-9,12-15,20-21,24H,5-6,10-11,16-19,22H2,1H3
InChIKeyQZAYFZMJECYVPP-UHFFFAOYSA-N
XLogP5.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 51066877) is cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is QZAYFZMJECYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-37-27-13-7-12-25(20-27)30-28(22-33-16-18-34(19-17-33)31(36)24-10-5-6-11-24)35-21-26(14-15-29(35)32-30)23-8-3-2-4-9-23/h2-4,7-9,12-15,20-21,24H,5-6,10-11,16-19,22H2,1H3.
What are the key properties of cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 494.64 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51066877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).