2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone

C20H22N4OS — CID 3214161

IUPAC2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C20H22N4OS/c25-18(23-12-5-2-6-13-23)15-26-20-22-17-10-7-11-21-19(17)24(20)14-16-8-3-1-4-9-16/h1,3-4,7-11H,2,5-6,12-15H2
InChIKeyAEZSCQPDUUWXFF-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.58
Rot. Bonds5

About 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone

2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 3214161) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID3214161
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C20H22N4OS/c25-18(23-12-5-2-6-13-23)15-26-20-22-17-10-7-11-21-19(17)24(20)14-16-8-3-1-4-9-16/h1,3-4,7-11H,2,5-6,12-15H2
InChIKeyAEZSCQPDUUWXFF-UHFFFAOYSA-N
XLogP3.58
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1071926
[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone;oxalic acid
CID 146052871
2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 645257
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 53213141
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]phenyl]-(3-methylpiperidin-1-yl)methanone;oxalic acid
CID 146051882
1-(azepan-1-yl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 78764585
3-[[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 21157003
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 20887292
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925071
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazolin-4-one
CID 769355

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone (CID 3214161) is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone is O=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is AEZSCQPDUUWXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-18(23-12-5-2-6-13-23)15-26-20-22-17-10-7-11-21-19(17)24(20)14-16-8-3-1-4-9-16/h1,3-4,7-11H,2,5-6,12-15H2.
What are the key properties of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 366.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 3214161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).