2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide

C17H14FN5O2S — CID 137442107

IUPAC2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3c(C)c(C#N)ncc3[nH]2)cc1F
InChIInChI=1S/C17H14FN5O2S/c1-9-12(6-19)20-7-13-16(9)23-17(22-13)26-8-15(24)21-10-3-4-14(25-2)11(18)5-10/h3-5,7H,8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHLDUHXGHODVTTD-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.02
Rot. Bonds5

About 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide

2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 137442107) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID137442107
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC Name2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3c(C)c(C#N)ncc3[nH]2)cc1F
InChIInChI=1S/C17H14FN5O2S/c1-9-12(6-19)20-7-13-16(9)23-17(22-13)26-8-15(24)21-10-3-4-14(25-2)11(18)5-10/h3-5,7H,8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHLDUHXGHODVTTD-UHFFFAOYSA-N
XLogP3.02
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide (CID 137442107) is 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3c(C)c(C#N)ncc3[nH]2)cc1F.
What is the InChIKey of 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is HLDUHXGHODVTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c1-9-12(6-19)20-7-13-16(9)23-17(22-13)26-8-15(24)21-10-3-4-14(25-2)11(18)5-10/h3-5,7H,8H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide?
2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 137442107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).