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

C36H43N5O5 — CID 160946472

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

2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide (PubChem CID 160946472) has the molecular formula C36H43N5O5 and a molecular weight of 625.77 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide
• PubChem CID: 160946472
• Molecular Formula: C36H43N5O5
• Molecular Weight: 625.77 g/mol
• Exact Mass: 625.33
• IUPAC Name: 2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)C[C@H]3c3ccccc3)c2C)cnc1OCCOC
• InChI: InChI=1S/C36H43N5O5/c1-25-33(21-30(42)19-28-23-40(15-16-44-3)24-32(28)26-11-7-5-8-12-26)41(29-13-9-6-10-14-29)39-34(25)27-20-31(35(43)37-2)36(38-22-27)46-18-17-45-4/h5-14,20,22,28,32H,15-19,21,23-24H2,1-4H3,(H,37,43)/t28-,32+/m1/s1
• InChIKey: SVEIMDHXPSROTH-NSJVFKKDSA-N
• XLogP: 4.49
• TPSA: 107.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.77
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide (CID 160946472) is 2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide.

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

The canonical SMILES for 2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3CN(CCOC)C[C@H]3c3ccccc3)c2C)cnc1OCCOC.

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

The InChIKey is SVEIMDHXPSROTH-NSJVFKKDSA-N. The full InChI is InChI=1S/C36H43N5O5/c1-25-33(21-30(42)19-28-23-40(15-16-44-3)24-32(28)26-11-7-5-8-12-26)41(29-13-9-6-10-14-29)39-34(25)27-20-31(35(43)37-2)36(38-22-27)46-18-17-45-4/h5-14,20,22,28,32H,15-19,21,23-24H2,1-4H3,(H,37,43)/t28-,32+/m1/s1.

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

2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 625.77 g/mol, XLogP of 4.49, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)-5-[5-[3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 160946472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).