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

C62H52BBr3Cl3N15O8 — CID 158391737

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane (PubChem CID 158391737) has the molecular formula C62H52BBr3Cl3N15O8 and a molecular weight of 1493.08 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane
• PubChem CID: 158391737
• Molecular Formula: C62H52BBr3Cl3N15O8
• Molecular Weight: 1493.08 g/mol
• Exact Mass: 1488.09
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane
• SMILES: BrB(Br)Br.COc1ccc2c(n1)c(C(=O)O)nn2Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12.[2H]CC
• InChI: InChI=1S/C25H22ClN7O2.C18H13ClN4O3.C17H11ClN4O3.C2H6.BBr3/c1-13-7-21(27)30-14(2)18(13)11-29-25(35)24-23-20(5-6-22(34)31-23)33(32-24)12-15-3-4-19-16(8-15)9-17(26)10-28-19;1-26-15-5-4-14-16(21-15)17(18(24)25)22-23(14)9-10-2-3-13-11(6-10)7-12(19)8-20-13;18-11-6-10-5-9(1-2-12(10)19-7-11)8-22-13-3-4-14(23)20-15(13)16(21-22)17(24)25;1-2;2-1(3)4/h3-10H,11-12H2,1-2H3,(H2,27,30)(H,29,35)(H,31,34);2-8H,9H2,1H3,(H,24,25);1-7H,8H2,(H,20,23)(H,24,25);1-2H3;/i;;;1D
• InChIKey: GXATYPZRYUJBFC-JLMMQWLNSA-N
• XLogP: 12.74
• TPSA: 322.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1493.08
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane (CID 158391737) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane.

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

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane is BrB(Br)Br.COc1ccc2c(n1)c(C(=O)O)nn2Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12.O=C(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12.[2H]CC.

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

The InChIKey is GXATYPZRYUJBFC-JLMMQWLNSA-N. The full InChI is InChI=1S/C25H22ClN7O2.C18H13ClN4O3.C17H11ClN4O3.C2H6.BBr3/c1-13-7-21(27)30-14(2)18(13)11-29-25(35)24-23-20(5-6-22(34)31-23)33(32-24)12-15-3-4-19-16(8-15)9-17(26)10-28-19;1-26-15-5-4-14-16(21-15)17(18(24)25)22-23(14)9-10-2-3-13-11(6-10)7-12(19)8-20-13;18-11-6-10-5-9(1-2-12(10)19-7-11)8-22-13-3-4-14(23)20-15(13)16(21-22)17(24)25;1-2;2-1(3)4/h3-10H,11-12H2,1-2H3,(H2,27,30)(H,29,35)(H,31,34);2-8H,9H2,1H3,(H,24,25);1-7H,8H2,(H,20,23)(H,24,25);1-2H3;/i;;;1D;.

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane has a molecular weight of 1493.08 g/mol, XLogP of 12.74, 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-4H-pyrazolo[4,3-b]pyridine-3-carboxamide;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxylic acid;deuterioethane;tribromoborane is sourced from PubChem (CID 158391737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).