N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C42H32F3N7O7S3 — CID 159884352

IUPACN-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)c1ccc2nccn2c1
InChIInChI=1S/C22H16F3N3O4S.C20H16N4O3S2/c23-22(24,25)32-18-3-1-2-4-19(18)33(30,31)17-8-5-15(6-9-17)13-27-21(29)16-7-10-20-26-11-12-28(20)14-16;1-13-9-22-12-19(24-13)29(26,27)16-4-2-14(3-5-16)10-23-20(25)17-8-15-6-7-21-11-18(15)28-17/h1-12,14H,13H2,(H,27,29);2-9,11-12H,10H2,1H3,(H,23,25)
InChIKeyNTYAEQMQOTYCSZ-UHFFFAOYSA-N
MW899.95 g/mol
LogP7.15
Rot. Bonds11

About N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 159884352) has the molecular formula C42H32F3N7O7S3 and a molecular weight of 899.95 g/mol. Its IUPAC name is N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID159884352
Molecular FormulaC42H32F3N7O7S3
Molecular Weight899.95 g/mol
Exact Mass899.15
IUPAC NameN-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)c1ccc2nccn2c1
InChIInChI=1S/C22H16F3N3O4S.C20H16N4O3S2/c23-22(24,25)32-18-3-1-2-4-19(18)33(30,31)17-8-5-15(6-9-17)13-27-21(29)16-7-10-20-26-11-12-28(20)14-16;1-13-9-22-12-19(24-13)29(26,27)16-4-2-14(3-5-16)10-23-20(25)17-8-15-6-7-21-11-18(15)28-17/h1-12,14H,13H2,(H,27,29);2-9,11-12H,10H2,1H3,(H,23,25)
InChIKeyNTYAEQMQOTYCSZ-UHFFFAOYSA-N
XLogP7.15
TPSA191.68 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.95
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide 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 N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 159884352) is N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NTYAEQMQOTYCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4S.C20H16N4O3S2/c23-22(24,25)32-18-3-1-2-4-19(18)33(30,31)17-8-5-15(6-9-17)13-27-21(29)16-7-10-20-26-11-12-28(20)14-16;1-13-9-22-12-19(24-13)29(26,27)16-4-2-14(3-5-16)10-23-20(25)17-8-15-6-7-21-11-18(15)28-17/h1-12,14H,13H2,(H,27,29);2-9,11-12H,10H2,1H3,(H,23,25).
What are the key properties of N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 899.95 g/mol, XLogP of 7.15, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 159884352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).