[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone

C25H29ClN4O3 — CID 135334948

IUPAC[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CCCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H29ClN4O3/c1-32-22-15-23(33-2)20(26)14-19(22)21-16-30-8-7-18(13-24(30)27-21)28-9-11-29(12-10-28)25(31)17-5-3-4-6-17/h7-8,13-17H,3-6,9-12H2,1-2H3
InChIKeyVLJRTILMZZXMMB-UHFFFAOYSA-N
MW468.99 g/mol
LogP4.51
Rot. Bonds5

About [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone

[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 135334948) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID135334948
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CCCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H29ClN4O3/c1-32-22-15-23(33-2)20(26)14-19(22)21-16-30-8-7-18(13-24(30)27-21)28-9-11-29(12-10-28)25(31)17-5-3-4-6-17/h7-8,13-17H,3-6,9-12H2,1-2H3
InChIKeyVLJRTILMZZXMMB-UHFFFAOYSA-N
XLogP4.51
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone (CID 135334948) is [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone is COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CCCC5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is VLJRTILMZZXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-32-22-15-23(33-2)20(26)14-19(22)21-16-30-8-7-18(13-24(30)27-21)28-9-11-29(12-10-28)25(31)17-5-3-4-6-17/h7-8,13-17H,3-6,9-12H2,1-2H3.
What are the key properties of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone?
[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 468.99 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 135334948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).