N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide

C23H26N4O3 — CID 131692093

About N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide

N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 131692093) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide
• PubChem CID: 131692093
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide
• SMILES: Cn1cccc1C(=O)NCCC1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2
• InChI: InChI=1S/C23H26N4O3/c1-26-11-4-7-20(26)21(28)24-10-8-17-9-12-30-23(17)14-27(15-23)22(29)19-13-16-5-2-3-6-18(16)25-19/h2-7,11,13,17,25H,8-10,12,14-15H2,1H3,(H,24,28)
• InChIKey: JLANPEDXJKXCLF-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 79.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide?

The IUPAC name of N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide (CID 131692093) is N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide.

What is the SMILES notation for N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide?

The canonical SMILES for N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCCC1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2.

What is the InChIKey of N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide?

The InChIKey is JLANPEDXJKXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-26-11-4-7-20(26)21(28)24-10-8-17-9-12-30-23(17)14-27(15-23)22(29)19-13-16-5-2-3-6-18(16)25-19/h2-7,11,13,17,25H,8-10,12,14-15H2,1H3,(H,24,28).

What are the key properties of N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide?

N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 131692093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).