N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C42H31F3N6O8S2 — CID 66612525

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cnc2nc[nH]c2c1
InChIInChI=1S/C22H15F3N2O5S.C20H16N4O3S/c23-22(24,25)32-16-3-7-18(8-4-16)33(29,30)17-5-1-14(2-6-17)12-27-21(28)19-11-15-9-10-26-13-20(15)31-19;25-20(15-10-18-19(21-12-15)24-13-23-18)22-11-14-6-8-17(9-7-14)28(26,27)16-4-2-1-3-5-16/h1-11,13H,12H2,(H,27,28);1-10,12-13H,11H2,(H,22,25)(H,21,23,24)
InChIKeySJMSTWKHYPASTI-UHFFFAOYSA-N
MW868.87 g/mol
LogP7.21
Rot. Bonds11

About N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 66612525) has the molecular formula C42H31F3N6O8S2 and a molecular weight of 868.87 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID66612525
Molecular FormulaC42H31F3N6O8S2
Molecular Weight868.87 g/mol
Exact Mass868.16
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cnc2nc[nH]c2c1
InChIInChI=1S/C22H15F3N2O5S.C20H16N4O3S/c23-22(24,25)32-16-3-7-18(8-4-16)33(29,30)17-5-1-14(2-6-17)12-27-21(28)19-11-15-9-10-26-13-20(15)31-19;25-20(15-10-18-19(21-12-15)24-13-23-18)22-11-14-6-8-17(9-7-14)28(26,27)16-4-2-1-3-5-16/h1-11,13H,12H2,(H,27,28);1-10,12-13H,11H2,(H,22,25)(H,21,23,24)
InChIKeySJMSTWKHYPASTI-UHFFFAOYSA-N
XLogP7.21
TPSA203.31 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.87
LogP ≤ 57.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 66612525) is N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cnc2nc[nH]c2c1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SJMSTWKHYPASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O5S.C20H16N4O3S/c23-22(24,25)32-16-3-7-18(8-4-16)33(29,30)17-5-1-14(2-6-17)12-27-21(28)19-11-15-9-10-26-13-20(15)31-19;25-20(15-10-18-19(21-12-15)24-13-23-18)22-11-14-6-8-17(9-7-14)28(26,27)16-4-2-1-3-5-16/h1-11,13H,12H2,(H,27,28);1-10,12-13H,11H2,(H,22,25)(H,21,23,24).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 868.87 g/mol, XLogP of 7.21, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 66612525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).