1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone

C20H22N4OS — CID 119417819

IUPAC1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccccc1SCc1cn2ccccc2n1)N1CCCNCC1
InChIInChI=1S/C20H22N4OS/c25-20(23-12-5-9-21-10-13-23)17-6-1-2-7-18(17)26-15-16-14-24-11-4-3-8-19(24)22-16/h1-4,6-8,11,14,21H,5,9-10,12-13,15H2
InChIKeyZQSQRDOLFVVHCJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.06
Rot. Bonds4

About 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone

1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone (PubChem CID 119417819) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
PubChem CID119417819
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
SMILESO=C(c1ccccc1SCc1cn2ccccc2n1)N1CCCNCC1
InChIInChI=1S/C20H22N4OS/c25-20(23-12-5-9-21-10-13-23)17-6-1-2-7-18(17)26-15-16-14-24-11-4-3-8-19(24)22-16/h1-4,6-8,11,14,21H,5,9-10,12-13,15H2
InChIKeyZQSQRDOLFVVHCJ-UHFFFAOYSA-N
XLogP3.06
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone 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

[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55616185
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119380893
1-[4-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564297
[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119412664
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 154860046
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 134048827
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 25406074
1,4-diazepan-1-yl-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 119416113
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
N-(1-hydroxypropan-2-yl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78857402
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
CID 167974368

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The IUPAC name of 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone (CID 119417819) is 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The canonical SMILES for 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone is O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The InChIKey is ZQSQRDOLFVVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(23-12-5-9-21-10-13-23)17-6-1-2-7-18(17)26-15-16-14-24-11-4-3-8-19(24)22-16/h1-4,6-8,11,14,21H,5,9-10,12-13,15H2.
What are the key properties of 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone has a molecular weight of 366.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 119417819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).