3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide

C58H78N12O9S2 — CID 158152919

About 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide

3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide (PubChem CID 158152919) has the molecular formula C58H78N12O9S2 and a molecular weight of 1151.47 g/mol. Its IUPAC name is 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide.

Molecular Properties

• Compound Name: 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide
• PubChem CID: 158152919
• Molecular Formula: C58H78N12O9S2
• Molecular Weight: 1151.47 g/mol
• Exact Mass: 1150.55
• IUPAC Name: 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide
• SMILES: CCS(=O)(=O)N(C)C(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.CCS(=O)(=O)NC.O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
• InChI: InChI=1S/C29H38N6O4S.C26H31N5O3.C3H9NO2S/c1-3-40(37,38)32(2)29(36)24-20-25(34-14-12-22(13-15-34)33-16-18-39-19-17-33)26-27(21-8-7-9-21)31-35(28(26)30-24)23-10-5-4-6-11-23;32-26(33)21-17-22(30-11-9-19(10-12-30)29-13-15-34-16-14-29)23-24(18-5-4-6-18)28-31(25(23)27-21)20-7-2-1-3-8-20;1-3-7(5,6)4-2/h4-6,10-11,20-22H,3,7-9,12-19H2,1-2H3;1-3,7-8,17-19H,4-6,9-16H2,(H,32,33);4H,3H2,1-2H3
• InChIKey: FVIJOXTUVRYZQU-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 230.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1151.47
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide?

The IUPAC name of 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide (CID 158152919) is 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide.

What is the SMILES notation for 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide?

The canonical SMILES for 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide is CCS(=O)(=O)N(C)C(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.CCS(=O)(=O)NC.O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.

What is the InChIKey of 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide?

The InChIKey is FVIJOXTUVRYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O4S.C26H31N5O3.C3H9NO2S/c1-3-40(37,38)32(2)29(36)24-20-25(34-14-12-22(13-15-34)33-16-18-39-19-17-33)26-27(21-8-7-9-21)31-35(28(26)30-24)23-10-5-4-6-11-23;32-26(33)21-17-22(30-11-9-19(10-12-30)29-13-15-34-16-14-29)23-24(18-5-4-6-18)28-31(25(23)27-21)20-7-2-1-3-8-20;1-3-7(5,6)4-2/h4-6,10-11,20-22H,3,7-9,12-19H2,1-2H3;1-3,7-8,17-19H,4-6,9-16H2,(H,32,33);4H,3H2,1-2H3.

What are the key properties of 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide?

3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide has a molecular weight of 1151.47 g/mol, XLogP of 6.65, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-N-ethylsulfonyl-N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N-methylethanesulfonamide is sourced from PubChem (CID 158152919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).