(15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C25H18FNO3 — CID 1472536

IUPAC(15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1OCc1ccc(F)cc1
InChIInChI=1S/C25H18FNO3/c26-15-11-9-14(10-12-15)13-30-27-24(28)22-20-16-5-1-2-6-17(16)21(23(22)25(27)29)19-8-4-3-7-18(19)20/h1-12,20-23H,13H2/t20?,21?,22-,23-/m0/s1
InChIKeyOBNOMYSRPUFKBN-BBITVKMKSA-N
MW399.42 g/mol
LogP4.15
Rot. Bonds3

About (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

(15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 1472536) has the molecular formula C25H18FNO3 and a molecular weight of 399.42 g/mol. Its IUPAC name is (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

Compound Name(15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID1472536
Molecular FormulaC25H18FNO3
Molecular Weight399.42 g/mol
Exact Mass399.13
IUPAC Name(15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1OCc1ccc(F)cc1
InChIInChI=1S/C25H18FNO3/c26-15-11-9-14(10-12-15)13-30-27-24(28)22-20-16-5-1-2-6-17(16)21(23(22)25(27)29)19-8-4-3-7-18(19)20/h1-12,20-23H,13H2/t20?,21?,22-,23-/m0/s1
InChIKeyOBNOMYSRPUFKBN-BBITVKMKSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-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 (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The IUPAC name of (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 1472536) is (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
What is the SMILES notation for (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The canonical SMILES for (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1OCc1ccc(F)cc1.
What is the InChIKey of (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The InChIKey is OBNOMYSRPUFKBN-BBITVKMKSA-N. The full InChI is InChI=1S/C25H18FNO3/c26-15-11-9-14(10-12-15)13-30-27-24(28)22-20-16-5-1-2-6-17(16)21(23(22)25(27)29)19-8-4-3-7-18(19)20/h1-12,20-23H,13H2/t20?,21?,22-,23-/m0/s1.
What are the key properties of (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
(15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 399.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,19S)-17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 1472536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).