1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one

C23H32N4O2 — CID 118756176

IUPAC1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one
SMILESCc1cccn2cc(CN3CCN(C(=O)CCC4CCCCC4)CCC3=O)nc12
InChIInChI=1S/C23H32N4O2/c1-18-6-5-12-27-17-20(24-23(18)27)16-26-15-14-25(13-11-22(26)29)21(28)10-9-19-7-3-2-4-8-19/h5-6,12,17,19H,2-4,7-11,13-16H2,1H3
InChIKeyDDDLWBKHOAZEQT-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one

1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one (PubChem CID 118756176) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one
PubChem CID118756176
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one
SMILESCc1cccn2cc(CN3CCN(C(=O)CCC4CCCCC4)CCC3=O)nc12
InChIInChI=1S/C23H32N4O2/c1-18-6-5-12-27-17-20(24-23(18)27)16-26-15-14-25(13-11-22(26)29)21(28)10-9-19-7-3-2-4-8-19/h5-6,12,17,19H,2-4,7-11,13-16H2,1H3
InChIKeyDDDLWBKHOAZEQT-UHFFFAOYSA-N
XLogP3.56
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one
CID 118758913
1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26360727
8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 4702012
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanecarboxamide
CID 3244515
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
1-[(2R)-2-[(2R)-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98761952
N-(cyclohexylmethyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051378
1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 95157630
8-methyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117136212
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
9-(3-cyclopentylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850711
(6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95861391

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one (CID 118756176) is 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one is Cc1cccn2cc(CN3CCN(C(=O)CCC4CCCCC4)CCC3=O)nc12.
What is the InChIKey of 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one?
The InChIKey is DDDLWBKHOAZEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-6-5-12-27-17-20(24-23(18)27)16-26-15-14-25(13-11-22(26)29)21(28)10-9-19-7-3-2-4-8-19/h5-6,12,17,19H,2-4,7-11,13-16H2,1H3.
What are the key properties of 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one?
1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one has a molecular weight of 396.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 118756176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).