N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C101H133N23O7 — CID 157317281

About N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 157317281) has the molecular formula C101H133N23O7 and a molecular weight of 1781.33 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 157317281
• Molecular Formula: C101H133N23O7
• Molecular Weight: 1781.33 g/mol
• Exact Mass: 1780.08
• IUPAC Name: N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: C.C.C.C=CC(=O)Nc1cc(C)cc(CCC)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C.C=CC(=O)n1c(C)cc(=O)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)nc3c2cnn3C(C)C)c1CCC.CCCc1cc(C)cc(O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C34H42N8O2.C33H40N8O3.C31H39N7O2.3CH4/c1-7-9-24-16-23(5)17-30(38-32(43)8-2)27(24)20-36-34(44)26-18-29(39-33-28(26)21-37-42(33)22(3)4)25-10-11-31(35-19-25)41-14-12-40(6)13-15-41;1-7-9-28-26(29(42)16-22(5)40(28)31(43)8-2)19-35-33(44)24-17-27(37-32-25(24)20-36-41(32)21(3)4)23-10-11-30(34-18-23)39-14-12-38(6)13-15-39;1-6-7-22-14-21(4)15-28(39)25(22)18-33-31(40)24-16-27(35-30-26(24)19-34-38(30)20(2)3)23-8-9-29(32-17-23)37-12-10-36(5)11-13-37;;;/h8,10-11,16-19,21-22H,2,7,9,12-15,20H2,1,3-6H3,(H,36,44)(H,38,43);8,10-11,16-18,20-21H,2,7,9,12-15,19H2,1,3-6H3,(H,35,44);8-9,14-17,19-20,39H,6-7,10-13,18H2,1-5H3,(H,33,40);3*1H4
• InChIKey: BDTGFQKKHPXXOF-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 325.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.33
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 157317281) is N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is C.C.C.C=CC(=O)Nc1cc(C)cc(CCC)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C.C=CC(=O)n1c(C)cc(=O)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)nc3c2cnn3C(C)C)c1CCC.CCCc1cc(C)cc(O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)nc2c1cnn2C(C)C.

What is the InChIKey of N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is BDTGFQKKHPXXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O2.C33H40N8O3.C31H39N7O2.3CH4/c1-7-9-24-16-23(5)17-30(38-32(43)8-2)27(24)20-36-34(44)26-18-29(39-33-28(26)21-37-42(33)22(3)4)25-10-11-31(35-19-25)41-14-12-40(6)13-15-41;1-7-9-28-26(29(42)16-22(5)40(28)31(43)8-2)19-35-33(44)24-17-27(37-32-25(24)20-36-41(32)21(3)4)23-10-11-30(34-18-23)39-14-12-38(6)13-15-39;1-6-7-22-14-21(4)15-28(39)25(22)18-33-31(40)24-16-27(35-30-26(24)19-34-38(30)20(2)3)23-8-9-29(32-17-23)37-12-10-36(5)11-13-37;;;/h8,10-11,16-19,21-22H,2,7,9,12-15,20H2,1,3-6H3,(H,36,44)(H,38,43);8,10-11,16-18,20-21H,2,7,9,12-15,19H2,1,3-6H3,(H,35,44);8-9,14-17,19-20,39H,6-7,10-13,18H2,1-5H3,(H,33,40);3*1H4.

What are the key properties of N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 1781.33 g/mol, XLogP of 15.78, 27 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-hydroxy-4-methyl-6-propylphenyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methane;N-[(6-methyl-4-oxo-1-prop-2-enoyl-2-propyl-3-pyridinyl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[[4-methyl-2-(prop-2-enoylamino)-6-propylphenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 157317281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).