2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide

C15H13ClN4O3S — CID 137442100

IUPAC2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1O
InChIInChI=1S/C15H13ClN4O3S/c1-23-12-3-2-8(4-11(12)21)18-14(22)7-24-15-19-9-5-13(16)17-6-10(9)20-15/h2-6,21H,7H2,1H3,(H,18,22)(H,19,20)
InChIKeyMRGZBJAQDGISRV-UHFFFAOYSA-N
MW364.81 g/mol
LogP3.06
Rot. Bonds5

About 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide

2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide (PubChem CID 137442100) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide
PubChem CID137442100
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1O
InChIInChI=1S/C15H13ClN4O3S/c1-23-12-3-2-8(4-11(12)21)18-14(22)7-24-15-19-9-5-13(16)17-6-10(9)20-15/h2-6,21H,7H2,1H3,(H,18,22)(H,19,20)
InChIKeyMRGZBJAQDGISRV-UHFFFAOYSA-N
XLogP3.06
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-Benzo[1,3]dioxol-5-yl-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 586414
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2042300
2-[(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 3923762
N-(3,4-Dimethoxyphenyl)-2-{3H-imidazo[4,5-B]pyridin-2-ylsulfanyl}acetamide
CID 3260782
2-[(6-amino-9H-purin-8-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 101891746
2-((6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)thio)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 137442099
2-[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
CID 661801
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 665619
2-{[5-(4-Chlorophenyl)-1H-imidazol-2-YL]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
CID 15989810
N-(3,4-dimethoxyphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
CID 118724563
N-(3,4-dimethoxyphenyl)-2-(7H-purin-8-ylsulfanyl)acetamide
CID 118724564
N-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyrazin-2-ylsulfanyl)acetamide
CID 118724565

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide (CID 137442100) is 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3cc(Cl)ncc3[nH]2)cc1O.
What is the InChIKey of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide?
The InChIKey is MRGZBJAQDGISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-23-12-3-2-8(4-11(12)21)18-14(22)7-24-15-19-9-5-13(16)17-6-10(9)20-15/h2-6,21H,7H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide?
2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide has a molecular weight of 364.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide is sourced from PubChem (CID 137442100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).