N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

C29H35N5O6 — CID 162695385

IUPACN-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
SMILESCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC4(CC4)CC3C(=O)NC(CC5CCNC5=O)C(=O)C(=O)NC6CC6
InChIInChI=1S/C29H35N5O6/c1-40-19-4-5-20-17(12-19)14-22(32-20)28(39)34-11-9-29(7-8-29)15-23(34)26(37)33-21(13-16-6-10-30-25(16)36)24(35)27(38)31-18-2-3-18/h4-5,12,14,16,18,21,23,32H,2-3,6-11,13,15H2,1H3,(H,30,36)(H,31,38)(H,33,37)
InChIKeyAQJTUEVEUDRJLR-UHFFFAOYSA-N
MW549.60 g/mol
LogP2.20
Rot. Bonds9

About N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(5-methoxy-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-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (PubChem CID 162695385) has the molecular formula C29H35N5O6 and a molecular weight of 549.60 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(5-methoxy-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-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
PubChem CID162695385
Molecular FormulaC29H35N5O6
Molecular Weight549.60 g/mol
Exact Mass549.26
IUPAC NameN-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
SMILESCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC4(CC4)CC3C(=O)NC(CC5CCNC5=O)C(=O)C(=O)NC6CC6
InChIInChI=1S/C29H35N5O6/c1-40-19-4-5-20-17(12-19)14-22(32-20)28(39)34-11-9-29(7-8-29)15-23(34)26(37)33-21(13-16-6-10-30-25(16)36)24(35)27(38)31-18-2-3-18/h4-5,12,14,16,18,21,23,32H,2-3,6-11,13,15H2,1H3,(H,30,36)(H,31,38)(H,33,37)
InChIKeyAQJTUEVEUDRJLR-UHFFFAOYSA-N
XLogP2.20
TPSA150.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity1060

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.60
LogP ≤ 52.20
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-(5-methoxy-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-(5-methoxy-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-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (CID 162695385) is N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(5-methoxy-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-(5-methoxy-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-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC4(CC4)CC3C(=O)NC(CC5CCNC5=O)C(=O)C(=O)NC6CC6.
What is the InChIKey of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is AQJTUEVEUDRJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O6/c1-40-19-4-5-20-17(12-19)14-22(32-20)28(39)34-11-9-29(7-8-29)15-23(34)26(37)33-21(13-16-6-10-30-25(16)36)24(35)27(38)31-18-2-3-18/h4-5,12,14,16,18,21,23,32H,2-3,6-11,13,15H2,1H3,(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-(5-methoxy-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-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 549.60 g/mol, XLogP of 2.20, 9 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-(5-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 162695385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).