N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C47H40FN7O10S2 — CID 90012579

IUPACN-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C25H23N5O5S.C22H17FN2O5S/c31-24(20-12-19-16-28-29-23(19)26-15-20)27-14-17-4-6-21(7-5-17)36(33,34)22-3-1-2-18(13-22)25(32)30-8-10-35-11-9-30;1-29-16-4-7-18(23)21(11-16)31(27,28)17-5-2-14(3-6-17)12-25-22(26)19-10-15-8-9-24-13-20(15)30-19/h1-7,12-13,15-16H,8-11,14H2,(H,27,31)(H,26,28,29);2-11,13H,12H2,1H3,(H,25,26)
InChIKeyYZWKPWNCEPTBHX-UHFFFAOYSA-N
MW946.01 g/mol
LogP5.93
Rot. Bonds12

About N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 90012579) has the molecular formula C47H40FN7O10S2 and a molecular weight of 946.01 g/mol. Its IUPAC name is N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID90012579
Molecular FormulaC47H40FN7O10S2
Molecular Weight946.01 g/mol
Exact Mass945.23
IUPAC NameN-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C25H23N5O5S.C22H17FN2O5S/c31-24(20-12-19-16-28-29-23(19)26-15-20)27-14-17-4-6-21(7-5-17)36(33,34)22-3-1-2-18(13-22)25(32)30-8-10-35-11-9-30;1-29-16-4-7-18(23)21(11-16)31(27,28)17-5-2-14(3-6-17)12-25-22(26)19-10-15-8-9-24-13-20(15)30-19/h1-7,12-13,15-16H,8-11,14H2,(H,27,31)(H,26,28,29);2-11,13H,12H2,1H3,(H,25,26)
InChIKeyYZWKPWNCEPTBHX-UHFFFAOYSA-N
XLogP5.93
TPSA232.85 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.01
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 90012579) is N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(F)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1)c1cnc2[nH]ncc2c1.
What is the InChIKey of N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YZWKPWNCEPTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5S.C22H17FN2O5S/c31-24(20-12-19-16-28-29-23(19)26-15-20)27-14-17-4-6-21(7-5-17)36(33,34)22-3-1-2-18(13-22)25(32)30-8-10-35-11-9-30;1-29-16-4-7-18(23)21(11-16)31(27,28)17-5-2-14(3-6-17)12-25-22(26)19-10-15-8-9-24-13-20(15)30-19/h1-7,12-13,15-16H,8-11,14H2,(H,27,31)(H,26,28,29);2-11,13H,12H2,1H3,(H,25,26).
What are the key properties of N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 946.01 g/mol, XLogP of 5.93, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoro-5-methoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90012579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).