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

C35H43N7O5 — CID 137495123

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

N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 137495123) has the molecular formula C35H43N7O5 and a molecular weight of 641.77 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide
• PubChem CID: 137495123
• Molecular Formula: C35H43N7O5
• Molecular Weight: 641.77 g/mol
• Exact Mass: 641.33
• IUPAC Name: N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide
• SMILES: CCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)C[C@H]3c3ccccc3)c2C)cnc1OCCOC
• InChI: InChI=1S/C35H43N7O5/c1-5-36-33(43)28-20-26(21-37-34(28)47-19-18-46-4)31-24(2)32(42(40-31)27-14-10-7-11-15-27)39-35(44)38-30-23-41(16-17-45-3)22-29(30)25-12-8-6-9-13-25/h6-15,20-21,29-30H,5,16-19,22-23H2,1-4H3,(H,36,43)(H2,38,39,44)/t29-,30+/m0/s1
• InChIKey: WDLLEZHITWZFPL-XZWHSSHBSA-N
• XLogP: 4.25
• TPSA: 131.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.77
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
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 N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide (CID 137495123) is N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide.

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

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

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

The InChIKey is WDLLEZHITWZFPL-XZWHSSHBSA-N. The full InChI is InChI=1S/C35H43N7O5/c1-5-36-33(43)28-20-26(21-37-34(28)47-19-18-46-4)31-24(2)32(42(40-31)27-14-10-7-11-15-27)39-35(44)38-30-23-41(16-17-45-3)22-29(30)25-12-8-6-9-13-25/h6-15,20-21,29-30H,5,16-19,22-23H2,1-4H3,(H,36,43)(H2,38,39,44)/t29-,30+/m0/s1.

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

N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 641.77 g/mol, XLogP of 4.25, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 137495123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).