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

C25H37N5O2 — CID 24817792

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOC1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1
InChIInChI=1S/C25H37N5O2/c1-32-21-10-7-12-27(18-21)19-22-24(26-23-11-5-6-13-30(22)23)25(31)29-16-14-28(15-17-29)20-8-3-2-4-9-20/h5-6,11,13,20-21H,2-4,7-10,12,14-19H2,1H3
InChIKeyZQBKMJKUVAUQRW-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.04
Rot. Bonds5

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

(4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 24817792) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID24817792
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOC1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1
InChIInChI=1S/C25H37N5O2/c1-32-21-10-7-12-27(18-21)19-22-24(26-23-11-5-6-13-30(22)23)25(31)29-16-14-28(15-17-29)20-8-3-2-4-9-20/h5-6,11,13,20-21H,2-4,7-10,12,14-19H2,1H3
InChIKeyZQBKMJKUVAUQRW-UHFFFAOYSA-N
XLogP3.04
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 24817792) is (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is COC1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is ZQBKMJKUVAUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-32-21-10-7-12-27(18-21)19-22-24(26-23-11-5-6-13-30(22)23)25(31)29-16-14-28(15-17-29)20-8-3-2-4-9-20/h5-6,11,13,20-21H,2-4,7-10,12,14-19H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 439.60 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[3-[(3-methoxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 24817792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).