4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate

C45H43N9O7 — CID 159001806

About 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate

4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 159001806) has the molecular formula C45H43N9O7 and a molecular weight of 821.90 g/mol. Its IUPAC name is 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 159001806
• Molecular Formula: C45H43N9O7
• Molecular Weight: 821.90 g/mol
• Exact Mass: 821.33
• IUPAC Name: 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCc1nccc2c1c(C(=O)OC)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.CCc1nccc2c1c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1
• InChI: InChI=1S/C23H22N4O4.C22H21N5O3/c1-4-17-19-18(9-12-24-17)27(25-20(19)21(28)31-3)16-7-5-6-15(14-16)8-10-23(30)11-13-26(2)22(23)29;1-3-16-18-17(8-11-24-16)27(25-19(18)20(23)28)15-6-4-5-14(13-15)7-9-22(30)10-12-26(2)21(22)29/h5-7,9,12,14,30H,4,11,13H2,1-3H3;4-6,8,11,13,30H,3,10,12H2,1-2H3,(H2,23,28)/t23-;22-/m00/s1
• InChIKey: JRKSWESOILVVSK-UGHHBTDHSA-N
• XLogP: 2.74
• TPSA: 211.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.90
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate (CID 159001806) is 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate is CCc1nccc2c1c(C(=O)OC)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.CCc1nccc2c1c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1.

What is the InChIKey of 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is JRKSWESOILVVSK-UGHHBTDHSA-N. The full InChI is InChI=1S/C23H22N4O4.C22H21N5O3/c1-4-17-19-18(9-12-24-17)27(25-20(19)21(28)31-3)16-7-5-6-15(14-16)8-10-23(30)11-13-26(2)22(23)29;1-3-16-18-17(8-11-24-16)27(25-19(18)20(23)28)15-6-4-5-14(13-15)7-9-22(30)10-12-26(2)21(22)29/h5-7,9,12,14,30H,4,11,13H2,1-3H3;4-6,8,11,13,30H,3,10,12H2,1-2H3,(H2,23,28)/t23-;22-/m00/s1.

What are the key properties of 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate?

4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 821.90 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 4-ethyl-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 159001806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).