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

C15H19ClN4OS — CID 41037874

IUPAC(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide
SMILESC[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19ClN4OS/c1-9(14(21)18-11-5-3-2-4-6-11)22-15-19-12-7-10(16)8-17-13(12)20-15/h7-9,11H,2-6H2,1H3,(H,18,21)(H,17,19,20)/t9-/m1/s1
InChIKeyAYRDZEJFWOXPAB-SECBINFHSA-N
MW338.86 g/mol
LogP3.54
Rot. Bonds4

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

(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide (PubChem CID 41037874) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide
PubChem CID41037874
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide
SMILESC[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19ClN4OS/c1-9(14(21)18-11-5-3-2-4-6-11)22-15-19-12-7-10(16)8-17-13(12)20-15/h7-9,11H,2-6H2,1H3,(H,18,21)(H,17,19,20)/t9-/m1/s1
InChIKeyAYRDZEJFWOXPAB-SECBINFHSA-N
XLogP3.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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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)-N-(cyclohexylcarbamoyl)-2-(7H-purin-8-ylsulfanyl)propanamide
CID 99786597
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
(2R)-N-(4-acetylphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanamide
CID 7624291
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 78656521
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7624496
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 7624522
N-cyclohexyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135488271
(2S)-2-[[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-cycloheptylpropanamide
CID 135870246
(2R)-N-cyclohexyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136807791

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide (CID 41037874) is (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide is C[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide?
The InChIKey is AYRDZEJFWOXPAB-SECBINFHSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-9(14(21)18-11-5-3-2-4-6-11)22-15-19-12-7-10(16)8-17-13(12)20-15/h7-9,11H,2-6H2,1H3,(H,18,21)(H,17,19,20)/t9-/m1/s1.
What are the key properties of (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide?
(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide has a molecular weight of 338.86 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 41037874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).