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

C14H9ClF2N4OS — CID 3800639

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H9ClF2N4OS/c15-7-3-11-13(18-5-7)21-14(20-11)23-6-12(22)19-8-1-2-9(16)10(17)4-8/h1-5H,6H2,(H,19,22)(H,18,20,21)
InChIKeyKWBGLGYKNTWFSO-UHFFFAOYSA-N
MW354.77 g/mol
LogP3.62
Rot. Bonds4

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

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 3800639) has the molecular formula C14H9ClF2N4OS and a molecular weight of 354.77 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
PubChem CID3800639
Molecular FormulaC14H9ClF2N4OS
Molecular Weight354.77 g/mol
Exact Mass354.02
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H9ClF2N4OS/c15-7-3-11-13(18-5-7)21-14(20-11)23-6-12(22)19-8-1-2-9(16)10(17)4-8/h1-5H,6H2,(H,19,22)(H,18,20,21)
InChIKeyKWBGLGYKNTWFSO-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 2045265
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8853296
N-(3-bromophenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 2041570
N-(3-acetylphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 7624647
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2048600
N-(5-acetamido-2-methoxyphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 3962624
propyl 4-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 7624371
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 7624317
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 3690567
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7624406
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 7624471
2-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 7624339

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide (CID 3800639) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide is O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is KWBGLGYKNTWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4OS/c15-7-3-11-13(18-5-7)21-14(20-11)23-6-12(22)19-8-1-2-9(16)10(17)4-8/h1-5H,6H2,(H,19,22)(H,18,20,21).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 354.77 g/mol, XLogP of 3.62, 4 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 3800639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).