[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C20H21ClN4O — CID 50848041

IUPAC[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)CC1
InChIInChI=1S/C20H21ClN4O/c1-23-9-2-10-24(12-11-23)20(26)16-5-8-19-22-18(14-25(19)13-16)15-3-6-17(21)7-4-15/h3-8,13-14H,2,9-12H2,1H3
InChIKeyBRXPUMIZCCDPFZ-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.43
Rot. Bonds2

About [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 50848041) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID50848041
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)CC1
InChIInChI=1S/C20H21ClN4O/c1-23-9-2-10-24(12-11-23)20(26)16-5-8-19-22-18(14-25(19)13-16)15-3-6-17(21)7-4-15/h3-8,13-14H,2,9-12H2,1H3
InChIKeyBRXPUMIZCCDPFZ-UHFFFAOYSA-N
XLogP3.43
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 53167110
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
(2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 110704149
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
(4-chlorophenyl)-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methanone
CID 78842575
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
1-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperidine-4-carbonitrile
CID 70707501
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 96574025
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153
2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604393

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 50848041) is [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)CC1.
What is the InChIKey of [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is BRXPUMIZCCDPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-23-9-2-10-24(12-11-23)20(26)16-5-8-19-22-18(14-25(19)13-16)15-3-6-17(21)7-4-15/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 368.87 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 50848041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).