azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate

C50H50N14O8 — CID 159522616

About azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate

azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 159522616) has the molecular formula C50H50N14O8 and a molecular weight of 975.04 g/mol. Its IUPAC name is azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate
• PubChem CID: 159522616
• Molecular Formula: C50H50N14O8
• Molecular Weight: 975.04 g/mol
• Exact Mass: 974.39
• IUPAC Name: azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate
• SMILES: CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccc(-c5cnn(C)c5)nc43)c2)C1=O.CO.COC(=O)c1nn(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c2nc(-c3cnn(C)c3)ccc12.N
• InChI: InChI=1S/C25H22N6O4.C24H21N7O3.CH4O.H3N/c1-29-12-11-25(34,24(29)33)10-9-16-5-4-6-18(13-16)31-22-19(21(28-31)23(32)35-3)7-8-20(27-22)17-14-26-30(2)15-17;1-29-11-10-24(34,23(29)33)9-8-15-4-3-5-17(12-15)31-22-18(20(28-31)21(25)32)6-7-19(27-22)16-13-26-30(2)14-16;1-2;/h4-8,13-15,34H,11-12H2,1-3H3;3-7,12-14,34H,10-11H2,1-2H3,(H2,25,32);2H,1H3;1H3/t25-;24-;;/m00../s1
• InChIKey: AIBYOHKQYLZMLX-NOYQGVBUSA-N
• XLogP: 2.19
• TPSA: 302.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.04
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate?

The IUPAC name of azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 159522616) is azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate.

What is the SMILES notation for azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate?

The canonical SMILES for azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate is CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccc(-c5cnn(C)c5)nc43)c2)C1=O.CO.COC(=O)c1nn(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c2nc(-c3cnn(C)c3)ccc12.N.

What is the InChIKey of azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate?

The InChIKey is AIBYOHKQYLZMLX-NOYQGVBUSA-N. The full InChI is InChI=1S/C25H22N6O4.C24H21N7O3.CH4O.H3N/c1-29-12-11-25(34,24(29)33)10-9-16-5-4-6-18(13-16)31-22-19(21(28-31)23(32)35-3)7-8-20(27-22)17-14-26-30(2)15-17;1-29-11-10-24(34,23(29)33)9-8-15-4-3-5-17(12-15)31-22-18(20(28-31)21(25)32)6-7-19(27-22)16-13-26-30(2)14-16;1-2;/h4-8,13-15,34H,11-12H2,1-3H3;3-7,12-14,34H,10-11H2,1-2H3,(H2,25,32);2H,1H3;1H3/t25-;24-;;/m00../s1.

What are the key properties of azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate?

azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 975.04 g/mol, XLogP of 2.19, 6 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 159522616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).