N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C44H34F4N6O9S2 — CID 90013062

IUPACN-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)nc1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(OCC(F)(F)F)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C23H16F4N2O5S.C21H18N4O4S/c24-16-8-17(33-13-23(25,26)27)10-19(9-16)35(31,32)18-3-1-14(2-4-18)11-29-22(30)20-7-15-5-6-28-12-21(15)34-20;1-29-17-5-9-20(23-13-17)30(27,28)18-6-2-15(3-7-18)12-24-21(26)16-4-8-19-22-10-11-25(19)14-16/h1-10,12H,11,13H2,(H,29,30);2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyFJJUBEMJWICBOT-UHFFFAOYSA-N
MW930.91 g/mol
LogP7.17
Rot. Bonds13

About N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90013062) has the molecular formula C44H34F4N6O9S2 and a molecular weight of 930.91 g/mol. Its IUPAC name is N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90013062
Molecular FormulaC44H34F4N6O9S2
Molecular Weight930.91 g/mol
Exact Mass930.18
IUPAC NameN-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)nc1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(OCC(F)(F)F)c2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C23H16F4N2O5S.C21H18N4O4S/c24-16-8-17(33-13-23(25,26)27)10-19(9-16)35(31,32)18-3-1-14(2-4-18)11-29-22(30)20-7-15-5-6-28-12-21(15)34-20;1-29-17-5-9-20(23-13-17)30(27,28)18-6-2-15(3-7-18)12-24-21(26)16-4-8-19-22-10-11-25(19)14-16/h1-10,12H,11,13H2,(H,29,30);2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyFJJUBEMJWICBOT-UHFFFAOYSA-N
XLogP7.17
TPSA201.16 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500930.91
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90013062) is N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)nc1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(OCC(F)(F)F)c2)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FJJUBEMJWICBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O5S.C21H18N4O4S/c24-16-8-17(33-13-23(25,26)27)10-19(9-16)35(31,32)18-3-1-14(2-4-18)11-29-22(30)20-7-15-5-6-28-12-21(15)34-20;1-29-17-5-9-20(23-13-17)30(27,28)18-6-2-15(3-7-18)12-24-21(26)16-4-8-19-22-10-11-25(19)14-16/h1-10,12H,11,13H2,(H,29,30);2-11,13-14H,12H2,1H3,(H,24,26).
What are the key properties of N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 930.91 g/mol, XLogP of 7.17, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90013062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).