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

C25H38N6O — CID 29257227

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCCN1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)CC1
InChIInChI=1S/C25H38N6O/c1-2-27-12-14-28(15-13-27)20-22-24(26-23-10-6-7-11-31(22)23)25(32)30-18-16-29(17-19-30)21-8-4-3-5-9-21/h6-7,10-11,21H,2-5,8-9,12-20H2,1H3
InChIKeyBJCQAHUPEUKHFX-UHFFFAOYSA-N
MW438.62 g/mol
LogP2.56
Rot. Bonds5

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

(4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 29257227) has the molecular formula C25H38N6O and a molecular weight of 438.62 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID29257227
Molecular FormulaC25H38N6O
Molecular Weight438.62 g/mol
Exact Mass438.31
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCCN1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)CC1
InChIInChI=1S/C25H38N6O/c1-2-27-12-14-28(15-13-27)20-22-24(26-23-10-6-7-11-31(22)23)25(32)30-18-16-29(17-19-30)21-8-4-3-5-9-21/h6-7,10-11,21H,2-5,8-9,12-20H2,1H3
InChIKeyBJCQAHUPEUKHFX-UHFFFAOYSA-N
XLogP2.56
TPSA47.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[3-[[methyl(prop-2-enyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56872838
(4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 25274299
[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 56862631
[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 56873176
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82029007
[3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 56867706
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56715082
4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 129225981
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917
N-cyclopropyl-1-(4-ethylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109066656
N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 29257227) is (4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is CCN1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is BJCQAHUPEUKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O/c1-2-27-12-14-28(15-13-27)20-22-24(26-23-10-6-7-11-31(22)23)25(32)30-18-16-29(17-19-30)21-8-4-3-5-9-21/h6-7,10-11,21H,2-5,8-9,12-20H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 438.62 g/mol, XLogP of 2.56, 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-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 29257227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).