N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide

C26H35N5O2 — CID 118354891

About N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide

N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 118354891) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide
• PubChem CID: 118354891
• Molecular Formula: C26H35N5O2
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.28
• IUPAC Name: N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide
• SMILES: CC(C)CNC(=O)N1CCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)C1
• InChI: InChI=1S/C26H35N5O2/c1-19(2)14-27-26(32)30-10-8-20(17-30)16-29-11-9-22-13-21(6-7-24(22)29)23-15-28-31(18-23)25-5-3-4-12-33-25/h6-7,9,11,13,15,18-20,25H,3-5,8,10,12,14,16-17H2,1-2H3,(H,27,32)
• InChIKey: ODLNMZQFIXSZTG-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 64.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide?

The IUPAC name of N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide (CID 118354891) is N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide?

The canonical SMILES for N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)C1.

What is the InChIKey of N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide?

The InChIKey is ODLNMZQFIXSZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-19(2)14-27-26(32)30-10-8-20(17-30)16-29-11-9-22-13-21(6-7-24(22)29)23-15-28-31(18-23)25-5-3-4-12-33-25/h6-7,9,11,13,15,18-20,25H,3-5,8,10,12,14,16-17H2,1-2H3,(H,27,32).

What are the key properties of N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide?

N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 118354891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).