5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide

C37H43N5O5 — CID 157451598

About 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide

5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 157451598) has the molecular formula C37H43N5O5 and a molecular weight of 637.78 g/mol. Its IUPAC name is 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
• PubChem CID: 157451598
• Molecular Formula: C37H43N5O5
• Molecular Weight: 637.78 g/mol
• Exact Mass: 637.33
• IUPAC Name: 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
• SMILES: COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(=O)N[C@@H]4CCOC4)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)C1
• InChI: InChI=1S/C37H43N5O5/c1-25-34(20-31(43)18-27-22-41(15-17-46-3)23-33(27)26-10-6-4-7-11-26)42(30-12-8-5-9-13-30)39-35(25)28-19-32(37(45)40(2)21-28)36(44)38-29-14-16-47-24-29/h4-13,19,21,27,29,33H,14-18,20,22-24H2,1-3H3,(H,38,44)/t27-,29-,33+/m1/s1
• InChIKey: BSWCITMYSDHYAN-FXAGPDLLSA-N
• XLogP: 3.93
• TPSA: 107.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.78
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?

The IUPAC name of 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide (CID 157451598) is 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(=O)N[C@@H]4CCOC4)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.

What is the InChIKey of 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?

The InChIKey is BSWCITMYSDHYAN-FXAGPDLLSA-N. The full InChI is InChI=1S/C37H43N5O5/c1-25-34(20-31(43)18-27-22-41(15-17-46-3)23-33(27)26-10-6-4-7-11-26)42(30-12-8-5-9-13-30)39-35(25)28-19-32(37(45)40(2)21-28)36(44)38-29-14-16-47-24-29/h4-13,19,21,27,29,33H,14-18,20,22-24H2,1-3H3,(H,38,44)/t27-,29-,33+/m1/s1.

What are the key properties of 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?

5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 637.78 g/mol, XLogP of 3.93, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157451598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).