1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol

C25H29FN2O — CID 51349179

IUPAC1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol
SMILESCCN1C2CCC1c1c(n(CC(C)(O)c3ccc(F)cc3)c3ccc(C)cc13)C2
InChIInChI=1S/C25H29FN2O/c1-4-27-19-10-12-22(27)24-20-13-16(2)5-11-21(20)28(23(24)14-19)15-25(3,29)17-6-8-18(26)9-7-17/h5-9,11,13,19,22,29H,4,10,12,14-15H2,1-3H3
InChIKeyXQAFPPGRESRDFP-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.08
Rot. Bonds4

About 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol

1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol (PubChem CID 51349179) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol
PubChem CID51349179
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol
SMILESCCN1C2CCC1c1c(n(CC(C)(O)c3ccc(F)cc3)c3ccc(C)cc13)C2
InChIInChI=1S/C25H29FN2O/c1-4-27-19-10-12-22(27)24-20-13-16(2)5-11-21(20)28(23(24)14-19)15-25(3,29)17-6-8-18(26)9-7-17/h5-9,11,13,19,22,29H,4,10,12,14-15H2,1-3H3
InChIKeyXQAFPPGRESRDFP-UHFFFAOYSA-N
XLogP5.08
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol 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 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol (CID 51349179) is 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol is CCN1C2CCC1c1c(n(CC(C)(O)c3ccc(F)cc3)c3ccc(C)cc13)C2.
What is the InChIKey of 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol?
The InChIKey is XQAFPPGRESRDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-4-27-19-10-12-22(27)24-20-13-16(2)5-11-21(20)28(23(24)14-19)15-25(3,29)17-6-8-18(26)9-7-17/h5-9,11,13,19,22,29H,4,10,12,14-15H2,1-3H3.
What are the key properties of 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol?
1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol has a molecular weight of 392.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(15-ethyl-5-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-2-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 51349179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).