N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide

C40H32N8O7S2 — CID 159681765

About N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 159681765) has the molecular formula C40H32N8O7S2 and a molecular weight of 800.88 g/mol. Its IUPAC name is N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 159681765
• Molecular Formula: C40H32N8O7S2
• Molecular Weight: 800.88 g/mol
• Exact Mass: 800.18
• IUPAC Name: N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1ccncc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2)cc1)c1cc2ccncc2o1
• InChI: InChI=1S/C20H17N5O3S.C20H15N3O4S/c1-13-6-7-21-12-18(13)29(27,28)17-4-2-14(3-5-17)9-23-20(26)16-8-15-11-24-25-19(15)22-10-16;24-20(18-10-15-7-9-22-13-19(15)27-18)23-11-14-3-5-16(6-4-14)28(25,26)17-2-1-8-21-12-17/h2-8,10-12H,9H2,1H3,(H,23,26)(H,22,24,25);1-10,12-13H,11H2,(H,23,24)
• InChIKey: MVHGGCPZMHFRBQ-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 219.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	800.88
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide (CID 159681765) is N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1ccncc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2)cc1)c1cc2ccncc2o1.

What is the InChIKey of N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is MVHGGCPZMHFRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S.C20H15N3O4S/c1-13-6-7-21-12-18(13)29(27,28)17-4-2-14(3-5-17)9-23-20(26)16-8-15-11-24-25-19(15)22-10-16;24-20(18-10-15-7-9-22-13-19(15)27-18)23-11-14-3-5-16(6-4-14)28(25,26)17-2-1-8-21-12-17/h2-8,10-12H,9H2,1H3,(H,23,26)(H,22,24,25);1-10,12-13H,11H2,(H,23,24).

What are the key properties of N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 800.88 g/mol, XLogP of 5.41, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 159681765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).