3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C128H168BClIN29O10 — CID 158656342

About 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158656342) has the molecular formula C128H168BClIN29O10 and a molecular weight of 2446.11 g/mol. Its IUPAC name is 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 158656342
• Molecular Formula: C128H168BClIN29O10
• Molecular Weight: 2446.11 g/mol
• Exact Mass: 2444.24
• IUPAC Name: 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: C.CC1(C)OB(c2ccc(N3CCCCC3)nc2)OC1(C)C.CCCc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(Cl)nc2c1cnn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCCCC3)nc2)nc2c1cnn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)nc2c1cnn2C(C)C.CI
• InChI: InChI=1S/C30H38N8O2.C30H37N7O2.C29H36N8O2.C21H25ClN4O2.C16H25BN2O2.CH3I.CH4/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37;1-5-9-21-14-20(4)34-30(39)24(21)17-32-29(38)23-15-26(35-28-25(23)18-33-37(28)19(2)3)22-10-11-27(31-16-22)36-12-7-6-8-13-36;1-5-6-20-13-19(4)34-29(39)23(20)16-32-28(38)22-14-25(35-27-24(22)17-33-37(27)18(2)3)21-7-8-26(31-15-21)36-11-9-30-10-12-36;1-5-6-14-9-13(4)24-21(28)15(14)7-8-18(27)16-10-19(22)25-20-17(16)11-23-26(20)12(2)3;1-15(2)16(3,4)21-17(20-15)13-8-9-14(18-12-13)19-10-6-5-7-11-19;1-2;/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40);10-11,14-16,18-19H,5-9,12-13,17H2,1-4H3,(H,32,38)(H,34,39);7-8,13-15,17-18,30H,5-6,9-12,16H2,1-4H3,(H,32,38)(H,34,39);9-12H,5-8H2,1-4H3,(H,24,28);8-9,12H,5-7,10-11H2,1-4H3;1H3;1H4
• InChIKey: ICELCXAQHIFISY-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 456.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2446.11
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158656342) is 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is C.CC1(C)OB(c2ccc(N3CCCCC3)nc2)OC1(C)C.CCCc1cc(C)[nH]c(=O)c1CCC(=O)c1cc(Cl)nc2c1cnn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCCCC3)nc2)nc2c1cnn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)nc2c1cnn2C(C)C.CI.

What is the InChIKey of 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is ICELCXAQHIFISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O2.C30H37N7O2.C29H36N8O2.C21H25ClN4O2.C16H25BN2O2.CH3I.CH4/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37;1-5-9-21-14-20(4)34-30(39)24(21)17-32-29(38)23-15-26(35-28-25(23)18-33-37(28)19(2)3)22-10-11-27(31-16-22)36-12-7-6-8-13-36;1-5-6-20-13-19(4)34-29(39)23(20)16-32-28(38)22-14-25(35-27-24(22)17-33-37(27)18(2)3)21-7-8-26(31-15-21)36-11-9-30-10-12-36;1-5-6-14-9-13(4)24-21(28)15(14)7-8-18(27)16-10-19(22)25-20-17(16)11-23-26(20)12(2)3;1-15(2)16(3,4)21-17(20-15)13-8-9-14(18-12-13)19-10-6-5-7-11-19;1-2;/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40);10-11,14-16,18-19H,5-9,12-13,17H2,1-4H3,(H,32,38)(H,34,39);7-8,13-15,17-18,30H,5-6,9-12,16H2,1-4H3,(H,32,38)(H,34,39);9-12H,5-8H2,1-4H3,(H,24,28);8-9,12H,5-7,10-11H2,1-4H3;1H3;1H4.

What are the key properties of 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2446.11 g/mol, XLogP of 20.50, 33 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(6-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-oxopropyl]-6-methyl-4-propyl-1H-pyridin-2-one;iodomethane;methane;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158656342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).