[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone

C24H27ClN4O2 — CID 138515677

IUPAC[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone
SMILESCc1c(-c2cc(N3CCN(C(=O)C4CCOCC4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C24H27ClN4O2/c1-17-23(26-22-4-2-3-9-29(17)22)20-16-19(5-6-21(20)25)27-10-12-28(13-11-27)24(30)18-7-14-31-15-8-18/h2-6,9,16,18H,7-8,10-15H2,1H3
InChIKeyIJMJZRKNGVWIDV-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.04
Rot. Bonds3

About [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone

[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 138515677) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID138515677
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone
SMILESCc1c(-c2cc(N3CCN(C(=O)C4CCOCC4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C24H27ClN4O2/c1-17-23(26-22-4-2-3-9-29(17)22)20-16-19(5-6-21(20)25)27-10-12-28(13-11-27)24(30)18-7-14-31-15-8-18/h2-6,9,16,18H,7-8,10-15H2,1H3
InChIKeyIJMJZRKNGVWIDV-UHFFFAOYSA-N
XLogP4.04
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone (CID 138515677) is [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone is Cc1c(-c2cc(N3CCN(C(=O)C4CCOCC4)CC3)ccc2Cl)nc2ccccn12.
What is the InChIKey of [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is IJMJZRKNGVWIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-17-23(26-22-4-2-3-9-29(17)22)20-16-19(5-6-21(20)25)27-10-12-28(13-11-27)24(30)18-7-14-31-15-8-18/h2-6,9,16,18H,7-8,10-15H2,1H3.
What are the key properties of [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone?
[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 438.96 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 138515677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).