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

C24H28ClN5O — CID 138515717

IUPAC[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone
SMILESCc1c(-c2cc(N3CCN(C(=O)C4CCNCC4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C24H28ClN5O/c1-17-23(27-22-4-2-3-11-30(17)22)20-16-19(5-6-21(20)25)28-12-14-29(15-13-28)24(31)18-7-9-26-10-8-18/h2-6,11,16,18,26H,7-10,12-15H2,1H3
InChIKeyXMOOOVODKWPWGS-UHFFFAOYSA-N
MW437.98 g/mol
LogP3.61
Rot. Bonds3

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

[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 138515717) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID138515717
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone
SMILESCc1c(-c2cc(N3CCN(C(=O)C4CCNCC4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C24H28ClN5O/c1-17-23(27-22-4-2-3-11-30(17)22)20-16-19(5-6-21(20)25)28-12-14-29(15-13-28)24(31)18-7-9-26-10-8-18/h2-6,11,16,18,26H,7-10,12-15H2,1H3
InChIKeyXMOOOVODKWPWGS-UHFFFAOYSA-N
XLogP3.61
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 138515677
2-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridine
CID 138515829
4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide
CID 138515800
2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine
CID 138515626
2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol
CID 138515664
1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one
CID 138515813
2-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
CID 138515663
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502
azetidin-3-yl-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]methanone
CID 59568258
2-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone
CID 138515789
[1-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 57336783

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]-piperidin-4-ylmethanone?
The IUPAC name of [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone (CID 138515717) is [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone is Cc1c(-c2cc(N3CCN(C(=O)C4CCNCC4)CC3)ccc2Cl)nc2ccccn12.
What is the InChIKey of [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is XMOOOVODKWPWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-17-23(27-22-4-2-3-11-30(17)22)20-16-19(5-6-21(20)25)28-12-14-29(15-13-28)24(31)18-7-9-26-10-8-18/h2-6,11,16,18,26H,7-10,12-15H2,1H3.
What are the key properties of [4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone?
[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 437.98 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 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]-piperidin-4-ylmethanone is sourced from PubChem (CID 138515717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).