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

C28H32FN5O5 — CID 162695871

About N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(4-fluoro-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-(4-fluoro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (PubChem CID 162695871) has the molecular formula C28H32FN5O5 and a molecular weight of 537.59 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(4-fluoro-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-(4-fluoro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 162695871
• Molecular Formula: C28H32FN5O5
• Molecular Weight: 537.59 g/mol
• Exact Mass: 537.24
• IUPAC Name: N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(4-fluoro-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)c1cc3c(F)cccc3[nH]1)CC2
• InChI: InChI=1S/C28H32FN5O5/c29-18-2-1-3-19-17(18)13-21(32-19)27(39)34-11-9-28(7-8-28)14-22(34)25(37)33-20(12-15-6-10-30-24(15)36)23(35)26(38)31-16-4-5-16/h1-3,13,15-16,20,22,32H,4-12,14H2,(H,30,36)(H,31,38)(H,33,37)
• InChIKey: FCHQXQCOZYBRNH-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 140.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.59
LogP ≤ 5	1.55
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-(4-fluoro-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-(4-fluoro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (CID 162695871) is N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(4-fluoro-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-(4-fluoro-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-(4-fluoro-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)c1cc3c(F)cccc3[nH]1)CC2.

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

The InChIKey is FCHQXQCOZYBRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O5/c29-18-2-1-3-19-17(18)13-21(32-19)27(39)34-11-9-28(7-8-28)14-22(34)25(37)33-20(12-15-6-10-30-24(15)36)23(35)26(38)31-16-4-5-16/h1-3,13,15-16,20,22,32H,4-12,14H2,(H,30,36)(H,31,38)(H,33,37).

What are the key properties of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(4-fluoro-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-(4-fluoro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 537.59 g/mol, XLogP of 1.55, 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-(4-fluoro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 162695871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).