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

C16H21ClN4OS — CID 7624566

IUPAC(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
SMILESC[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H21ClN4OS/c1-10(15(22)19-8-11-5-3-2-4-6-11)23-16-20-13-7-12(17)9-18-14(13)21-16/h7,9-11H,2-6,8H2,1H3,(H,19,22)(H,18,20,21)/t10-/m0/s1
InChIKeyVKEZSVBKBXZNRY-JTQLQIEISA-N
MW352.89 g/mol
LogP3.79
Rot. Bonds5

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

(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide (PubChem CID 7624566) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
PubChem CID7624566
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
SMILESC[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H21ClN4OS/c1-10(15(22)19-8-11-5-3-2-4-6-11)23-16-20-13-7-12(17)9-18-14(13)21-16/h7,9-11H,2-6,8H2,1H3,(H,19,22)(H,18,20,21)/t10-/m0/s1
InChIKeyVKEZSVBKBXZNRY-JTQLQIEISA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide with MolForge

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Related Compounds

(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 41037874
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 78656521
N-(cyclohexylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 42974172
(2R)-N-(4-acetylphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanamide
CID 7624291
(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 27140282
(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 41289534
(2S)-N-(cyclohexylcarbamoyl)-2-(7H-purin-8-ylsulfanyl)propanamide
CID 99786597
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7624496
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262938
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 7624522
ethyl 5-[(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7624585
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7624335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide (CID 7624566) is (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide is C[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NCC1CCCCC1.
What is the InChIKey of (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The InChIKey is VKEZSVBKBXZNRY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21ClN4OS/c1-10(15(22)19-8-11-5-3-2-4-6-11)23-16-20-13-7-12(17)9-18-14(13)21-16/h7,9-11H,2-6,8H2,1H3,(H,19,22)(H,18,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide has a molecular weight of 352.89 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 7624566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).