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

C45H34N8O8S3 — CID 157435570

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

N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 157435570) has the molecular formula C45H34N8O8S3 and a molecular weight of 911.02 g/mol. Its IUPAC name is N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 157435570
• Molecular Formula: C45H34N8O8S3
• Molecular Weight: 911.02 g/mol
• Exact Mass: 910.17
• IUPAC Name: N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2Oc2ccccc2S3)cc1)c1cnc2[nH]ncc2c1
• InChI: InChI=1S/C26H18N4O4S2.C19H16N4O4S/c31-26(18-12-17-15-29-30-25(17)27-14-18)28-13-16-8-10-19(11-9-16)36(32,33)23-7-3-6-22-24(23)34-20-4-1-2-5-21(20)35-22;1-23-12-16(10-22-23)28(25,26)15-4-2-13(3-5-15)9-21-19(24)17-8-14-6-7-20-11-18(14)27-17/h1-12,14-15H,13H2,(H,28,31)(H,27,29,30);2-8,10-12H,9H2,1H3,(H,21,24)
• InChIKey: BRBAUYQKMDPRTA-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 221.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	911.02
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 157435570) is N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1.O=C(NCc1ccc(S(=O)(=O)c2cccc3c2Oc2ccccc2S3)cc1)c1cnc2[nH]ncc2c1.

What is the InChIKey of N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is BRBAUYQKMDPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O4S2.C19H16N4O4S/c31-26(18-12-17-15-29-30-25(17)27-14-18)28-13-16-8-10-19(11-9-16)36(32,33)23-7-3-6-22-24(23)34-20-4-1-2-5-21(20)35-22;1-23-12-16(10-22-23)28(25,26)15-4-2-13(3-5-15)9-21-19(24)17-8-14-6-7-20-11-18(14)27-17/h1-12,14-15H,13H2,(H,28,31)(H,27,29,30);2-8,10-12H,9H2,1H3,(H,21,24).

What are the key properties of N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 911.02 g/mol, XLogP of 7.30, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(1-methylpyrazol-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 157435570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).