6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide

C27H29N5O3 — CID 45171340

About 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide

6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45171340) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45171340
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: Cn1c(C(=O)N2CCC3(CC2)CC3C(=O)Nc2cccc(N3CCNC3=O)c2)cc2ccccc21
• InChI: InChI=1S/C27H29N5O3/c1-30-22-8-3-2-5-18(22)15-23(30)25(34)31-12-9-27(10-13-31)17-21(27)24(33)29-19-6-4-7-20(16-19)32-14-11-28-26(32)35/h2-8,15-16,21H,9-14,17H2,1H3,(H,28,35)(H,29,33)
• InChIKey: CFUNLMKZDQGMPN-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 86.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45171340) is 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide is Cn1c(C(=O)N2CCC3(CC2)CC3C(=O)Nc2cccc(N3CCNC3=O)c2)cc2ccccc21.

What is the InChIKey of 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is CFUNLMKZDQGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-30-22-8-3-2-5-18(22)15-23(30)25(34)31-12-9-27(10-13-31)17-21(27)24(33)29-19-6-4-7-20(16-19)32-14-11-28-26(32)35/h2-8,15-16,21H,9-14,17H2,1H3,(H,28,35)(H,29,33).

What are the key properties of 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide?

6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylindole-2-carbonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45171340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).