4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol

C63H65Cl4N21O8 — CID 157399355

About 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol

4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol (PubChem CID 157399355) has the molecular formula C63H65Cl4N21O8 and a molecular weight of 1386.16 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol.

Molecular Properties

• Compound Name: 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol
• PubChem CID: 157399355
• Molecular Formula: C63H65Cl4N21O8
• Molecular Weight: 1386.16 g/mol
• Exact Mass: 1383.41
• IUPAC Name: 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol
• SMILES: CCOC(=O)c1cnc2c(c(C)nn2Cc2ccnn2C)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3ccnn3C)c2Cl)cc1.Cc1nn(Cc2ccnn2C)c2ncc(C(=O)O)c(Cl)c12.Cn1nccc1CO
• InChI: InChI=1S/C20H19ClN6O.C15H16ClN5O2.C13H12ClN5O2.C10H10ClN3O2.C5H8N2O/c1-12-4-6-14(7-5-12)24-20(28)16-10-22-19-17(18(16)21)13(2)25-27(19)11-15-8-9-23-26(15)3;1-4-23-15(22)11-7-17-14-12(13(11)16)9(2)19-21(14)8-10-5-6-18-20(10)3;1-7-10-11(14)9(13(20)21)5-15-12(10)19(17-7)6-8-3-4-16-18(8)2;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-7-5(4-8)2-3-6-7/h4-10H,11H2,1-3H3,(H,24,28);5-7H,4,8H2,1-3H3;3-5H,6H2,1-2H3,(H,20,21);4H,3H2,1-2H3,(H,12,13,14);2-3,8H,4H2,1H3
• InChIKey: BMYNMVKXHMQTDZ-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 344.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1386.16
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol?

The IUPAC name of 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol (CID 157399355) is 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol.

What is the SMILES notation for 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol?

The canonical SMILES for 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol is CCOC(=O)c1cnc2c(c(C)nn2Cc2ccnn2C)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3ccnn3C)c2Cl)cc1.Cc1nn(Cc2ccnn2C)c2ncc(C(=O)O)c(Cl)c12.Cn1nccc1CO.

What is the InChIKey of 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol?

The InChIKey is BMYNMVKXHMQTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O.C15H16ClN5O2.C13H12ClN5O2.C10H10ClN3O2.C5H8N2O/c1-12-4-6-14(7-5-12)24-20(28)16-10-22-19-17(18(16)21)13(2)25-27(19)11-15-8-9-23-26(15)3;1-4-23-15(22)11-7-17-14-12(13(11)16)9(2)19-21(14)8-10-5-6-18-20(10)3;1-7-10-11(14)9(13(20)21)5-15-12(10)19(17-7)6-8-3-4-16-18(8)2;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-7-5(4-8)2-3-6-7/h4-10H,11H2,1-3H3,(H,24,28);5-7H,4,8H2,1-3H3;3-5H,6H2,1-2H3,(H,20,21);4H,3H2,1-2H3,(H,12,13,14);2-3,8H,4H2,1H3.

What are the key properties of 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol?

4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol has a molecular weight of 1386.16 g/mol, XLogP of 9.97, 14 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 157399355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).