3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate

C₉₆H₁₂₂ClN₁₉O₁₂ — CID 159655322

About 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate

3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate (PubChem CID 159655322) has the molecular formula C₉₆H₁₂₂ClN₁₉O₁₂ and a molecular weight of 1769.61 g/mol. Its IUPAC name is 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
• PubChem CID: 159655322
• Molecular Formula: C₉₆H₁₂₂ClN₁₉O₁₂
• Molecular Weight: 1769.61 g/mol
• Exact Mass: 1767.92
• IUPAC Name: 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
• SMILES: CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)[nH]nc2n1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3cc(C)nc(Cl)c3)c2n1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3ccnc(C)c3)c2n1.COCC1CCN(c2cc(C(=O)O)nc3c2c(C2CCC2)nn3-c2ccnc(C)c2)CC1
• InChI: InChI=1S/C26H32ClN5O3.C26H33N5O3.C24H29N5O3.C20H28N4O3/c1-4-35-26(33)20-14-21(31-10-8-17(9-11-31)15-34-3)23-24(18-6-5-7-18)30-32(25(23)29-20)19-12-16(2)28-22(27)13-19;1-4-34-26(32)21-15-22(30-12-9-18(10-13-30)16-33-3)23-24(19-6-5-7-19)29-31(25(23)28-21)20-8-11-27-17(2)14-20;1-15-12-18(6-9-25-15)29-23-21(22(27-29)17-4-3-5-17)20(13-19(26-23)24(30)31)28-10-7-16(8-11-28)14-32-2;1-3-27-20(25)15-11-16(24-9-7-13(8-10-24)12-26-2)17-18(14-5-4-6-14)22-23-19(17)21-15/h12-14,17-18H,4-11,15H2,1-3H3;8,11,14-15,18-19H,4-7,9-10,12-13,16H2,1-3H3;6,9,12-13,16-17H,3-5,7-8,10-11,14H2,1-2H3,(H,30,31);11,13-14H,3-10,12H2,1-2H3,(H,21,22,23)
• InChIKey: MSCFMKFLGCKNMD-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 338.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1769.61
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?

The IUPAC name of 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate (CID 159655322) is 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate.

What is the SMILES notation for 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?

The canonical SMILES for 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)[nH]nc2n1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3cc(C)nc(Cl)c3)c2n1.CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3ccnc(C)c3)c2n1.COCC1CCN(c2cc(C(=O)O)nc3c2c(C2CCC2)nn3-c2ccnc(C)c2)CC1.

What is the InChIKey of 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?

The InChIKey is MSCFMKFLGCKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O3.C26H33N5O3.C24H29N5O3.C20H28N4O3/c1-4-35-26(33)20-14-21(31-10-8-17(9-11-31)15-34-3)23-24(18-6-5-7-18)30-32(25(23)29-20)19-12-16(2)28-22(27)13-19;1-4-34-26(32)21-15-22(30-12-9-18(10-13-30)16-33-3)23-24(19-6-5-7-19)29-31(25(23)28-21)20-8-11-27-17(2)14-20;1-15-12-18(6-9-25-15)29-23-21(22(27-29)17-4-3-5-17)20(13-19(26-23)24(30)31)28-10-7-16(8-11-28)14-32-2;1-3-27-20(25)15-11-16(24-9-7-13(8-10-24)12-26-2)17-18(14-5-4-6-14)22-23-19(17)21-15/h12-14,17-18H,4-11,15H2,1-3H3;8,11,14-15,18-19H,4-7,9-10,12-13,16H2,1-3H3;6,9,12-13,16-17H,3-5,7-8,10-11,14H2,1-2H3,(H,30,31);11,13-14H,3-10,12H2,1-2H3,(H,21,22,23).

What are the key properties of 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate?

3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate has a molecular weight of 1769.61 g/mol, XLogP of 16.73, 26 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid;ethyl 1-(2-chloro-6-methyl-4-pyridinyl)-3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 159655322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159655322 — identifiers, structure, computed properties (public domain)

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