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

C50H54BrN11O9 — CID 158349603

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

1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 158349603) has the molecular formula C50H54BrN11O9 and a molecular weight of 1032.95 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate
• PubChem CID: 158349603
• Molecular Formula: C50H54BrN11O9
• Molecular Weight: 1032.95 g/mol
• Exact Mass: 1031.33
• IUPAC Name: 1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate
• SMILES: C.C#C[C@]1(O)CCN(C)C1=O.COC(=O)c1nn(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c2ncc(N3CCOCC3)cc12.NC(=O)c1nn(-c2cccc(Br)c2)c2ncc(N3CCOCC3)cc12
• InChI: InChI=1S/C25H25N5O5.C17H16BrN5O2.C7H9NO2.CH4/c1-28-9-8-25(33,24(28)32)7-6-17-4-3-5-18(14-17)30-22-20(21(27-30)23(31)34-2)15-19(16-26-22)29-10-12-35-13-11-29;18-11-2-1-3-12(8-11)23-17-14(15(21-23)16(19)24)9-13(10-20-17)22-4-6-25-7-5-22;1-3-7(10)4-5-8(2)6(7)9;/h3-5,14-16,33H,8-13H2,1-2H3;1-3,8-10H,4-7H2,(H2,19,24);1,10H,4-5H2,2H3;1H4/t25-;;7-;/m0.0./s1
• InChIKey: GSDOHKMLDCHRFS-QRNZRGADSA-N
• XLogP: 2.96
• TPSA: 236.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1032.95
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate (CID 158349603) is 1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate.

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

The canonical SMILES for 1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate is C.C#C[C@]1(O)CCN(C)C1=O.COC(=O)c1nn(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c2ncc(N3CCOCC3)cc12.NC(=O)c1nn(-c2cccc(Br)c2)c2ncc(N3CCOCC3)cc12.

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

The InChIKey is GSDOHKMLDCHRFS-QRNZRGADSA-N. The full InChI is InChI=1S/C25H25N5O5.C17H16BrN5O2.C7H9NO2.CH4/c1-28-9-8-25(33,24(28)32)7-6-17-4-3-5-18(14-17)30-22-20(21(27-30)23(31)34-2)15-19(16-26-22)29-10-12-35-13-11-29;18-11-2-1-3-12(8-11)23-17-14(15(21-23)16(19)24)9-13(10-20-17)22-4-6-25-7-5-22;1-3-7(10)4-5-8(2)6(7)9;/h3-5,14-16,33H,8-13H2,1-2H3;1-3,8-10H,4-7H2,(H2,19,24);1,10H,4-5H2,2H3;1H4/t25-;;7-;/m0.0./s1.

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

1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 1032.95 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxamide;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;methane;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-morpholin-4-ylpyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 158349603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).