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

C13H9Cl2N5OS — CID 7624317

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cccnc1Cl
InChIInChI=1S/C13H9Cl2N5OS/c14-7-4-9-12(17-5-7)20-13(19-9)22-6-10(21)18-8-2-1-3-16-11(8)15/h1-5H,6H2,(H,18,21)(H,17,19,20)
InChIKeyUBDUCMSKVXXJQZ-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.39
Rot. Bonds4

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

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 7624317) has the molecular formula C13H9Cl2N5OS and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID7624317
Molecular FormulaC13H9Cl2N5OS
Molecular Weight354.22 g/mol
Exact Mass352.99
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cccnc1Cl
InChIInChI=1S/C13H9Cl2N5OS/c14-7-4-9-12(17-5-7)20-13(19-9)22-6-10(21)18-8-2-1-3-16-11(8)15/h1-5H,6H2,(H,18,21)(H,17,19,20)
InChIKeyUBDUCMSKVXXJQZ-UHFFFAOYSA-N
XLogP3.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2048600
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 2045265
N-(3-bromophenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 2041570
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 3800639
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-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7624406
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8853296
N-(5-acetamido-2-methoxyphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 3962624
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 7624471
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-(propan-2-ylcarbamoyl)acetamide
CID 7624335
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3830022

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide (CID 7624317) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide is O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cccnc1Cl.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is UBDUCMSKVXXJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5OS/c14-7-4-9-12(17-5-7)20-13(19-9)22-6-10(21)18-8-2-1-3-16-11(8)15/h1-5H,6H2,(H,18,21)(H,17,19,20).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 354.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 7624317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).