N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C49H41N7O6S2 — CID 90012416

About N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90012416) has the molecular formula C49H41N7O6S2 and a molecular weight of 888.04 g/mol. Its IUPAC name is N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 90012416
• Molecular Formula: C49H41N7O6S2
• Molecular Weight: 888.04 g/mol
• Exact Mass: 887.26
• IUPAC Name: N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CCc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)c1ccc2nccn2c1
• InChI: InChI=1S/C27H21N3O3S.C22H20N4O3S/c31-27(23-11-14-26-28-15-16-30(26)19-23)29-18-20-9-12-24(13-10-20)34(32,33)25-8-4-7-22(17-25)21-5-2-1-3-6-21;1-2-15-4-3-5-20(10-15)30(28,29)19-8-6-16(7-9-19)12-24-22(27)18-11-17-14-25-26-21(17)23-13-18/h1-17,19H,18H2,(H,29,31);3-11,13-14H,2,12H2,1H3,(H,24,27)(H,23,25,26)
• InChIKey: YCNNMMVYIBUXRY-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 185.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.04
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90012416) is N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is CCc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)c1ccc2nccn2c1.

What is the InChIKey of N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is YCNNMMVYIBUXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S.C22H20N4O3S/c31-27(23-11-14-26-28-15-16-30(26)19-23)29-18-20-9-12-24(13-10-20)34(32,33)25-8-4-7-22(17-25)21-5-2-1-3-6-21;1-2-15-4-3-5-20(10-15)30(28,29)19-8-6-16(7-9-19)12-24-22(27)18-11-17-14-25-26-21(17)23-13-18/h1-17,19H,18H2,(H,29,31);3-11,13-14H,2,12H2,1H3,(H,24,27)(H,23,25,26).

What are the key properties of N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?

N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 888.04 g/mol, XLogP of 8.05, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90012416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).