1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one

C₄₄H₄₃BrN₁₀O₈ — CID 161136512

About 1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one

1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 161136512) has the molecular formula C₄₄H₄₃BrN₁₀O₈ and a molecular weight of 919.79 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 161136512
• Molecular Formula: C₄₄H₄₃BrN₁₀O₈
• Molecular Weight: 919.79 g/mol
• Exact Mass: 918.24
• IUPAC Name: 1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: C#C[C@]1(O)CCN(C)C1=O.CCOc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(Br)c1.CCOc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1
• InChI: InChI=1S/C22H21N5O4.C15H13BrN4O2.C7H9NO2/c1-3-31-18-12-17-16(13-24-18)19(20(23)28)25-27(17)15-6-4-5-14(11-15)7-8-22(30)9-10-26(2)21(22)29;1-2-22-13-7-12-11(8-18-13)14(15(17)21)19-20(12)10-5-3-4-9(16)6-10;1-3-7(10)4-5-8(2)6(7)9/h4-6,11-13,30H,3,9-10H2,1-2H3,(H2,23,28);3-8H,2H2,1H3,(H2,17,21);1,10H,4-5H2,2H3/t22-;;7-/m0.0/s1
• InChIKey: UMWILRWPJWQSOF-CVMJYUMTSA-N
• XLogP: 2.76
• TPSA: 247.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.79
LogP ≤ 5	2.76
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-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one?

The IUPAC name of 1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one (CID 161136512) is 1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one.

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

The canonical SMILES for 1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one is C#C[C@]1(O)CCN(C)C1=O.CCOc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(Br)c1.CCOc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.

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

The InChIKey is UMWILRWPJWQSOF-CVMJYUMTSA-N. The full InChI is InChI=1S/C22H21N5O4.C15H13BrN4O2.C7H9NO2/c1-3-31-18-12-17-16(13-24-18)19(20(23)28)25-27(17)15-6-4-5-14(11-15)7-8-22(30)9-10-26(2)21(22)29;1-2-22-13-7-12-11(8-18-13)14(15(17)21)19-20(12)10-5-3-4-9(16)6-10;1-3-7(10)4-5-8(2)6(7)9/h4-6,11-13,30H,3,9-10H2,1-2H3,(H2,23,28);3-8H,2H2,1H3,(H2,17,21);1,10H,4-5H2,2H3/t22-;;7-/m0.0/s1.

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

1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 919.79 g/mol, XLogP of 2.76, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-6-ethoxypyrazolo[4,3-c]pyridine-3-carboxamide;6-ethoxy-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 161136512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161136512 — identifiers, structure, computed properties (public domain)

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