4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride

C99H116ClF4N15O14 — CID 159126336

About 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride

4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride (PubChem CID 159126336) has the molecular formula C99H116ClF4N15O14 and a molecular weight of 1851.55 g/mol. Its IUPAC name is 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
• PubChem CID: 159126336
• Molecular Formula: C99H116ClF4N15O14
• Molecular Weight: 1851.55 g/mol
• Exact Mass: 1849.85
• IUPAC Name: 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
• SMILES: CCOC(=O)N1CCC(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.CCOC(=O)N1CCC(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.COC(=O)c1cc(C2CCCCC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.COC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.Cl
• InChI: InChI=1S/C27H33FN4O4.C25H29FN4O4.C24H27FN4O4.C23H26FN3O2.ClH/c1-16(2)23-22-20(17-11-13-31(14-12-17)26(34)36-27(3,4)5)15-21(25(33)35-6)29-24(22)32(30-23)19-9-7-18(28)8-10-19;1-5-34-25(32)29-12-10-16(11-13-29)19-14-20(24(31)33-4)27-23-21(19)22(15(2)3)28-30(23)18-8-6-17(26)7-9-18;1-4-33-24(32)28-11-9-15(10-12-28)18-13-19(23(30)31)26-22-20(18)21(14(2)3)27-29(22)17-7-5-16(25)6-8-17;1-14(2)21-20-18(15-7-5-4-6-8-15)13-19(23(28)29-3)25-22(20)27(26-21)17-11-9-16(24)10-12-17;/h7-10,15-17H,11-14H2,1-6H3;6-9,14-16H,5,10-13H2,1-4H3;5-8,13-15H,4,9-12H2,1-3H3,(H,30,31);9-15H,4-8H2,1-3H3;1H
• InChIKey: CUBPHMAWENLSCQ-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 327.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1851.55
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride?

The IUPAC name of 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride (CID 159126336) is 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride.

What is the SMILES notation for 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride?

The canonical SMILES for 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride is CCOC(=O)N1CCC(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.CCOC(=O)N1CCC(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.COC(=O)c1cc(C2CCCCC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.COC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.Cl.

What is the InChIKey of 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride?

The InChIKey is CUBPHMAWENLSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O4.C25H29FN4O4.C24H27FN4O4.C23H26FN3O2.ClH/c1-16(2)23-22-20(17-11-13-31(14-12-17)26(34)36-27(3,4)5)15-21(25(33)35-6)29-24(22)32(30-23)19-9-7-18(28)8-10-19;1-5-34-25(32)29-12-10-16(11-13-29)19-14-20(24(31)33-4)27-23-21(19)22(15(2)3)28-30(23)18-8-6-17(26)7-9-18;1-4-33-24(32)28-11-9-15(10-12-28)18-13-19(23(30)31)26-22-20(18)21(14(2)3)27-29(22)17-7-5-16(25)6-8-17;1-14(2)21-20-18(15-7-5-4-6-8-15)13-19(23(28)29-3)25-22(20)27(26-21)17-11-9-16(24)10-12-17;/h7-10,15-17H,11-14H2,1-6H3;6-9,14-16H,5,10-13H2,1-4H3;5-8,13-15H,4,9-12H2,1-3H3,(H,30,31);9-15H,4-8H2,1-3H3;1H.

What are the key properties of 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride?

4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride has a molecular weight of 1851.55 g/mol, XLogP of 21.05, 18 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl 4-cyclohexyl-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride is sourced from PubChem (CID 159126336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).