2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide

C17H17ClN4OS — CID 78656521

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
SMILESCC(Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17ClN4OS/c1-11(16(23)19-8-7-12-5-3-2-4-6-12)24-17-21-14-9-13(18)10-20-15(14)22-17/h2-6,9-11H,7-8H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyLGNMLZZAKIOIMS-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.45
Rot. Bonds6

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide (PubChem CID 78656521) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
PubChem CID78656521
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
SMILESCC(Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17ClN4OS/c1-11(16(23)19-8-7-12-5-3-2-4-6-12)24-17-21-14-9-13(18)10-20-15(14)22-17/h2-6,9-11H,7-8H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyLGNMLZZAKIOIMS-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7624566
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 7624522
(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 41037874
(2R)-N-(4-acetylphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanamide
CID 7624291
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7624496
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 42927301
(2R)-N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 94184768
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7624770
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7624644
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
(2R)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-2-phenylbutyl]propanamide
CID 9267560

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide (CID 78656521) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide is CC(Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide?
The InChIKey is LGNMLZZAKIOIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-11(16(23)19-8-7-12-5-3-2-4-6-12)24-17-21-14-9-13(18)10-20-15(14)22-17/h2-6,9-11H,7-8H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide has a molecular weight of 360.87 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 78656521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).