N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide

C68H81FN12O11S4 — CID 159099812

About N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide

N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide (PubChem CID 159099812) has the molecular formula C68H81FN12O11S4 and a molecular weight of 1389.73 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
• PubChem CID: 159099812
• Molecular Formula: C68H81FN12O11S4
• Molecular Weight: 1389.73 g/mol
• Exact Mass: 1388.50
• IUPAC Name: N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
• SMILES: C[C@H](NS(=O)(=O)C1=NCc2ncccc21)C(F)C(c1ccccc1)c1ccccc1.O=S(=O)(NC(CO)CC1CCCCC1)C1=NCc2ncccc21.O=S(=O)(NC1C2C=CC(C2)C1CO)C1=NCc2ncccc21.O=S(=O)(N[C@H]1CCCC[C@H]1CO)C1=NCc2ncccc21
• InChI: InChI=1S/C23H22FN3O2S.C16H23N3O3S.C15H17N3O3S.C14H19N3O3S/c1-16(27-30(28,29)23-19-13-8-14-25-20(19)15-26-23)22(24)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18;20-11-13(9-12-5-2-1-3-6-12)19-23(21,22)16-14-7-4-8-17-15(14)10-18-16;19-8-12-9-3-4-10(6-9)14(12)18-22(20,21)15-11-2-1-5-16-13(11)7-17-15;18-9-10-4-1-2-6-12(10)17-21(19,20)14-11-5-3-7-15-13(11)8-16-14/h2-14,16,21-22,27H,15H2,1H3;4,7-8,12-13,19-20H,1-3,5-6,9-11H2;1-5,9-10,12,14,18-19H,6-8H2;3,5,7,10,12,17-18H,1-2,4,6,8-9H2/t16-,22?;;;10-,12-/m0..0/s1
• InChIKey: KDDGHPMXLYUZGZ-IEGLTCCFSA-N
• XLogP: 6.67
• TPSA: 346.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1389.73
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?

The IUPAC name of N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide (CID 159099812) is N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide.

What is the SMILES notation for N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?

The canonical SMILES for N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide is C[C@H](NS(=O)(=O)C1=NCc2ncccc21)C(F)C(c1ccccc1)c1ccccc1.O=S(=O)(NC(CO)CC1CCCCC1)C1=NCc2ncccc21.O=S(=O)(NC1C2C=CC(C2)C1CO)C1=NCc2ncccc21.O=S(=O)(N[C@H]1CCCC[C@H]1CO)C1=NCc2ncccc21.

What is the InChIKey of N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?

The InChIKey is KDDGHPMXLYUZGZ-IEGLTCCFSA-N. The full InChI is InChI=1S/C23H22FN3O2S.C16H23N3O3S.C15H17N3O3S.C14H19N3O3S/c1-16(27-30(28,29)23-19-13-8-14-25-20(19)15-26-23)22(24)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18;20-11-13(9-12-5-2-1-3-6-12)19-23(21,22)16-14-7-4-8-17-15(14)10-18-16;19-8-12-9-3-4-10(6-9)14(12)18-22(20,21)15-11-2-1-5-16-13(11)7-17-15;18-9-10-4-1-2-6-12(10)17-21(19,20)14-11-5-3-7-15-13(11)8-16-14/h2-14,16,21-22,27H,15H2,1H3;4,7-8,12-13,19-20H,1-3,5-6,9-11H2;1-5,9-10,12,14,18-19H,6-8H2;3,5,7,10,12,17-18H,1-2,4,6,8-9H2/t16-,22?;;;10-,12-/m0..0/s1.

What are the key properties of N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide?

N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide has a molecular weight of 1389.73 g/mol, XLogP of 6.67, 17 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexyl-3-hydroxypropan-2-yl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2S)-3-fluoro-4,4-diphenylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 159099812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).