1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide

C42H39BrN10O8 — CID 160649504

About 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide

1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 160649504) has the molecular formula C42H39BrN10O8 and a molecular weight of 891.74 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide
• PubChem CID: 160649504
• Molecular Formula: C42H39BrN10O8
• Molecular Weight: 891.74 g/mol
• Exact Mass: 890.21
• IUPAC Name: 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide
• SMILES: C#C[C@]1(O)CCN(C)C1=O.COc1ccc2c(C(N)=O)nn(-c3cccc(Br)c3)c2n1.COc1ccc2c(C(N)=O)nn(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2n1
• InChI: InChI=1S/C21H19N5O4.C14H11BrN4O2.C7H9NO2/c1-25-11-10-21(29,20(25)28)9-8-13-4-3-5-14(12-13)26-19-15(17(24-26)18(22)27)6-7-16(23-19)30-2;1-21-11-6-5-10-12(13(16)20)18-19(14(10)17-11)9-4-2-3-8(15)7-9;1-3-7(10)4-5-8(2)6(7)9/h3-7,12,29H,10-11H2,1-2H3,(H2,22,27);2-7H,1H3,(H2,16,20);1,10H,4-5H2,2H3/t21-;;7-/m0.0/s1
• InChIKey: RKFPZXNQQRVZAC-DLDSSKJQSA-N
• XLogP: 1.98
• TPSA: 247.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.74
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide?

The IUPAC name of 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide (CID 160649504) is 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide.

What is the SMILES notation for 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide?

The canonical SMILES for 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide is C#C[C@]1(O)CCN(C)C1=O.COc1ccc2c(C(N)=O)nn(-c3cccc(Br)c3)c2n1.COc1ccc2c(C(N)=O)nn(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2n1.

What is the InChIKey of 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide?

The InChIKey is RKFPZXNQQRVZAC-DLDSSKJQSA-N. The full InChI is InChI=1S/C21H19N5O4.C14H11BrN4O2.C7H9NO2/c1-25-11-10-21(29,20(25)28)9-8-13-4-3-5-14(12-13)26-19-15(17(24-26)18(22)27)6-7-16(23-19)30-2;1-21-11-6-5-10-12(13(16)20)18-19(14(10)17-11)9-4-2-3-8(15)7-9;1-3-7(10)4-5-8(2)6(7)9/h3-7,12,29H,10-11H2,1-2H3,(H2,22,27);2-7H,1H3,(H2,16,20);1,10H,4-5H2,2H3/t21-;;7-/m0.0/s1.

What are the key properties of 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide?

1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 891.74 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 160649504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).