N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

C28H33N5O5 — CID 162695999

About N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (PubChem CID 162695999) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 162695999
• Molecular Formula: C28H33N5O5
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.25
• IUPAC Name: N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• SMILES: O=C(NC1CC1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CCN1C(=O)c1cc3ccccc3[nH]1)CC2
• InChI: InChI=1S/C28H33N5O5/c34-23(26(37)30-18-5-6-18)20(14-17-7-11-29-24(17)35)32-25(36)22-15-28(8-9-28)10-12-33(22)27(38)21-13-16-3-1-2-4-19(16)31-21/h1-4,13,17-18,20,22,31H,5-12,14-15H2,(H,29,35)(H,30,37)(H,32,36)
• InChIKey: WWZKRHJBMFAKJZ-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 140.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (CID 162695999) is N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is O=C(NC1CC1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CCN1C(=O)c1cc3ccccc3[nH]1)CC2.

What is the InChIKey of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is WWZKRHJBMFAKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c34-23(26(37)30-18-5-6-18)20(14-17-7-11-29-24(17)35)32-25(36)22-15-28(8-9-28)10-12-33(22)27(38)21-13-16-3-1-2-4-19(16)31-21/h1-4,13,17-18,20,22,31H,5-12,14-15H2,(H,29,35)(H,30,37)(H,32,36).

What are the key properties of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 519.60 g/mol, XLogP of 1.41, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 162695999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).