4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate

C58H73ClF2N10O6 — CID 158676220

About 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate

4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 158676220) has the molecular formula C58H73ClF2N10O6 and a molecular weight of 1079.73 g/mol. Its IUPAC name is 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
• PubChem CID: 158676220
• Molecular Formula: C58H73ClF2N10O6
• Molecular Weight: 1079.73 g/mol
• Exact Mass: 1078.54
• IUPAC Name: 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
• SMILES: COC(=O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.COC(=O)c1cc(N2CCC(N3CCC(OC)CC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.COC1CCN(C2CCNCC2)CC1
• InChI: InChI=1S/C29H36FN5O3.C18H15ClFN3O2.C11H22N2O/c1-37-23-12-16-33(17-13-23)21-10-14-34(15-11-21)25-18-24(29(36)38-2)31-28-26(25)27(19-4-3-5-19)32-35(28)22-8-6-20(30)7-9-22;1-25-18(24)14-9-13(19)15-16(10-3-2-4-10)22-23(17(15)21-14)12-7-5-11(20)6-8-12;1-14-11-4-8-13(9-5-11)10-2-6-12-7-3-10/h6-9,18-19,21,23H,3-5,10-17H2,1-2H3;5-10H,2-4H2,1H3;10-12H,2-9H2,1H3
• InChIKey: IEOAMRMOEWBCBV-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 154.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.73
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate?

The IUPAC name of 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate (CID 158676220) is 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate.

What is the SMILES notation for 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate?

The canonical SMILES for 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.COC(=O)c1cc(N2CCC(N3CCC(OC)CC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.COC1CCN(C2CCNCC2)CC1.

What is the InChIKey of 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate?

The InChIKey is IEOAMRMOEWBCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN5O3.C18H15ClFN3O2.C11H22N2O/c1-37-23-12-16-33(17-13-23)21-10-14-34(15-11-21)25-18-24(29(36)38-2)31-28-26(25)27(19-4-3-5-19)32-35(28)22-8-6-20(30)7-9-22;1-25-18(24)14-9-13(19)15-16(10-3-2-4-10)22-23(17(15)21-14)12-7-5-11(20)6-8-12;1-14-11-4-8-13(9-5-11)10-2-6-12-7-3-10/h6-9,18-19,21,23H,3-5,10-17H2,1-2H3;5-10H,2-4H2,1H3;10-12H,2-9H2,1H3.

What are the key properties of 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate?

4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 1079.73 g/mol, XLogP of 9.81, 11 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-1-piperidin-4-ylpiperidine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 158676220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).