(4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C24H35N5O2 — CID 24818987

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1nc2ccccn2c1CN1CCCC(O)C1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H35N5O2/c30-20-9-6-11-26(17-20)18-21-23(25-22-10-4-5-12-29(21)22)24(31)28-15-13-27(14-16-28)19-7-2-1-3-8-19/h4-5,10,12,19-20,30H,1-3,6-9,11,13-18H2
InChIKeyJBHLRLMJONDSJK-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.38
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 24818987) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID24818987
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1nc2ccccn2c1CN1CCCC(O)C1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H35N5O2/c30-20-9-6-11-26(17-20)18-21-23(25-22-10-4-5-12-29(21)22)24(31)28-15-13-27(14-16-28)19-7-2-1-3-8-19/h4-5,10,12,19-20,30H,1-3,6-9,11,13-18H2
InChIKeyJBHLRLMJONDSJK-UHFFFAOYSA-N
XLogP2.38
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 24818987) is (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is O=C(c1nc2ccccn2c1CN1CCCC(O)C1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is JBHLRLMJONDSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c30-20-9-6-11-26(17-20)18-21-23(25-22-10-4-5-12-29(21)22)24(31)28-15-13-27(14-16-28)19-7-2-1-3-8-19/h4-5,10,12,19-20,30H,1-3,6-9,11,13-18H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 425.58 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[3-[(3-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 24818987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).