15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C25H23N3O4 — CID 57390504

IUPAC15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESO=C(CCC(=O)N1CCCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4
InChIInChI=1S/C25H23N3O4/c29-18(8-9-19(30)28-10-1-2-11-28)13-6-7-17-16(12-13)20-22-21(24(31)27-25(22)32)14-4-3-5-15(14)23(20)26-17/h6-7,12,26H,1-5,8-11H2,(H,27,31,32)
InChIKeyFGMJZIMXFWSFAS-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.28
Rot. Bonds4

About 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (PubChem CID 57390504) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

Molecular Properties

Compound Name15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
PubChem CID57390504
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESO=C(CCC(=O)N1CCCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4
InChIInChI=1S/C25H23N3O4/c29-18(8-9-19(30)28-10-1-2-11-28)13-6-7-17-16(12-13)20-22-21(24(31)27-25(22)32)14-4-3-5-15(14)23(20)26-17/h6-7,12,26H,1-5,8-11H2,(H,27,31,32)
InChIKeyFGMJZIMXFWSFAS-UHFFFAOYSA-N
XLogP3.28
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The IUPAC name of 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (CID 57390504) is 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.
What is the SMILES notation for 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The canonical SMILES for 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is O=C(CCC(=O)N1CCCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4.
What is the InChIKey of 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The InChIKey is FGMJZIMXFWSFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c29-18(8-9-19(30)28-10-1-2-11-28)13-6-7-17-16(12-13)20-22-21(24(31)27-25(22)32)14-4-3-5-15(14)23(20)26-17/h6-7,12,26H,1-5,8-11H2,(H,27,31,32).
What are the key properties of 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione has a molecular weight of 429.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is sourced from PubChem (CID 57390504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).