(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide

C16H12ClN5OS — CID 7624496

IUPAC(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
SMILESC[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H12ClN5OS/c1-9(15(23)20-12-4-2-3-10(5-12)7-18)24-16-21-13-6-11(17)8-19-14(13)22-16/h2-6,8-9H,1H3,(H,20,23)(H,19,21,22)/t9-/m0/s1
InChIKeyAJPLMMVSZHSOAB-VIFPVBQESA-N
MW357.83 g/mol
LogP3.60
Rot. Bonds4

About (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide

(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide (PubChem CID 7624496) has the molecular formula C16H12ClN5OS and a molecular weight of 357.83 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
PubChem CID7624496
Molecular FormulaC16H12ClN5OS
Molecular Weight357.83 g/mol
Exact Mass357.05
IUPAC Name(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
SMILESC[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H12ClN5OS/c1-9(15(23)20-12-4-2-3-10(5-12)7-18)24-16-21-13-6-11(17)8-19-14(13)22-16/h2-6,8-9H,1H3,(H,20,23)(H,19,21,22)/t9-/m0/s1
InChIKeyAJPLMMVSZHSOAB-VIFPVBQESA-N
XLogP3.60
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2617970
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 51319472
(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7250857
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 42927301
(2R)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 41037874
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268560
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide
CID 4968095
methyl 2-chloro-5-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]sulfanylbenzoate
CID 96535611
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529318
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7225718

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide?
The IUPAC name of (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide (CID 7624496) is (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide is C[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide?
The InChIKey is AJPLMMVSZHSOAB-VIFPVBQESA-N. The full InChI is InChI=1S/C16H12ClN5OS/c1-9(15(23)20-12-4-2-3-10(5-12)7-18)24-16-21-13-6-11(17)8-19-14(13)22-16/h2-6,8-9H,1H3,(H,20,23)(H,19,21,22)/t9-/m0/s1.
What are the key properties of (2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide?
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide has a molecular weight of 357.83 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-(3-cyanophenyl)propanamide is sourced from PubChem (CID 7624496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).