N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid

C60H46Cl3N15O8 — CID 158181063

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid (PubChem CID 158181063) has the molecular formula C60H46Cl3N15O8 and a molecular weight of 1211.48 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
• PubChem CID: 158181063
• Molecular Formula: C60H46Cl3N15O8
• Molecular Weight: 1211.48 g/mol
• Exact Mass: 1209.27
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
• SMILES: COc1cc2c(C(=O)O)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c[nH]c(=O)cc12.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c[nH]c(=O)cc12
• InChI: InChI=1S/C25H22ClN7O2.C18H13ClN4O3.C17H11ClN4O3/c1-13-5-22(27)31-14(2)19(13)10-30-25(35)24-18-8-23(34)29-11-21(18)33(32-24)12-15-3-4-20-16(6-15)7-17(26)9-28-20;1-26-16-6-13-15(8-21-16)23(22-17(13)18(24)25)9-10-2-3-14-11(4-10)5-12(19)7-20-14;18-11-4-10-3-9(1-2-13(10)19-6-11)8-22-14-7-20-15(23)5-12(14)16(21-22)17(24)25/h3-9,11H,10,12H2,1-2H3,(H2,27,31)(H,29,34)(H,30,35);2-8H,9H2,1H3,(H,24,25);1-7H,8H2,(H,20,23)(H,24,25)
• InChIKey: FYPFLZPHDUWCIX-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 322.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1211.48
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid (CID 158181063) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid is COc1cc2c(C(=O)O)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c[nH]c(=O)cc12.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c[nH]c(=O)cc12.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid?

The InChIKey is FYPFLZPHDUWCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O2.C18H13ClN4O3.C17H11ClN4O3/c1-13-5-22(27)31-14(2)19(13)10-30-25(35)24-18-8-23(34)29-11-21(18)33(32-24)12-15-3-4-20-16(6-15)7-17(26)9-28-20;1-26-16-6-13-15(8-21-16)23(22-17(13)18(24)25)9-10-2-3-14-11(4-10)5-12(19)7-20-14;18-11-4-10-3-9(1-2-13(10)19-6-11)8-22-14-7-20-15(23)5-12(14)16(21-22)17(24)25/h3-9,11H,10,12H2,1-2H3,(H2,27,31)(H,29,34)(H,30,35);2-8H,9H2,1H3,(H,24,25);1-7H,8H2,(H,20,23)(H,24,25).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid has a molecular weight of 1211.48 g/mol, XLogP of 9.56, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[3,4-c]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-6H-pyrazolo[3,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 158181063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).