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

IUPACN-[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
SMILESC1CC1NC(=O)C(=O)C(CC2CCNC2=O)NC(=O)C3CC4(CC4)CCN3C(=O)C5=CC6=C(N5)C=CC=C6F
InChIInChI=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)
InChIKeyFCHQXQCOZYBRNH-UHFFFAOYSA-N
MW537.60 g/mol
LogP2.40
Rot. Bonds8

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 537.60 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 NameN-[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 CID162695871
Molecular FormulaC28H32FN5O5
Molecular Weight537.60 g/mol
Exact Mass537.24
IUPAC NameN-[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
SMILESC1CC1NC(=O)C(=O)C(CC2CCNC2=O)NC(=O)C3CC4(CC4)CCN3C(=O)C5=CC6=C(N5)C=CC=C6F
InChIInChI=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)
InChIKeyFCHQXQCOZYBRNH-UHFFFAOYSA-N
XLogP2.40
TPSA140.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity1050

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.60
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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 C1CC1NC(=O)C(=O)C(CC2CCNC2=O)NC(=O)C3CC4(CC4)CCN3C(=O)C5=CC6=C(N5)C=CC=C6F.
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 537.60 g/mol, XLogP of 2.40, 8 rotatable bonds, 4 hydrogen bond donors, and 6 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).