N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C47H33FN6O7S3 — CID 90018680

IUPACN-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)c1cnc2[nH]ncc2c1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2sc2ccccc23)cc1)c1cc2ccncc2o1
InChIInChI=1S/C27H18N2O4S2.C20H15FN4O3S/c30-27(22-14-18-12-13-28-16-23(18)33-22)29-15-17-8-10-19(11-9-17)35(31,32)25-7-3-5-21-20-4-1-2-6-24(20)34-26(21)25;21-16-2-1-3-18(9-16)29(27,28)17-6-4-13(5-7-17)10-23-20(26)15-8-14-12-24-25-19(14)22-11-15/h1-14,16H,15H2,(H,29,30);1-9,11-12H,10H2,(H,23,26)(H,22,24,25)
InChIKeyWEYQVNSSLANLKW-UHFFFAOYSA-N
MW909.01 g/mol
LogP8.82
Rot. Bonds10

About N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 90018680) has the molecular formula C47H33FN6O7S3 and a molecular weight of 909.01 g/mol. Its IUPAC name is N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID90018680
Molecular FormulaC47H33FN6O7S3
Molecular Weight909.01 g/mol
Exact Mass908.16
IUPAC NameN-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)c1cnc2[nH]ncc2c1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2sc2ccccc23)cc1)c1cc2ccncc2o1
InChIInChI=1S/C27H18N2O4S2.C20H15FN4O3S/c30-27(22-14-18-12-13-28-16-23(18)33-22)29-15-17-8-10-19(11-9-17)35(31,32)25-7-3-5-21-20-4-1-2-6-24(20)34-26(21)25;21-16-2-1-3-18(9-16)29(27,28)17-6-4-13(5-7-17)10-23-20(26)15-8-14-12-24-25-19(14)22-11-15/h1-14,16H,15H2,(H,29,30);1-9,11-12H,10H2,(H,23,26)(H,22,24,25)
InChIKeyWEYQVNSSLANLKW-UHFFFAOYSA-N
XLogP8.82
TPSA194.08 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.01
LogP ≤ 58.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)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-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 90018680) is N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)c1cnc2[nH]ncc2c1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2sc2ccccc23)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WEYQVNSSLANLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O4S2.C20H15FN4O3S/c30-27(22-14-18-12-13-28-16-23(18)33-22)29-15-17-8-10-19(11-9-17)35(31,32)25-7-3-5-21-20-4-1-2-6-24(20)34-26(21)25;21-16-2-1-3-18(9-16)29(27,28)17-6-4-13(5-7-17)10-23-20(26)15-8-14-12-24-25-19(14)22-11-15/h1-14,16H,15H2,(H,29,30);1-9,11-12H,10H2,(H,23,26)(H,22,24,25).
What are the key properties of N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 909.01 g/mol, XLogP of 8.82, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-dibenzothiophen-4-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90018680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).