6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C24H25FN2O — CID 70917674

IUPAC6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCOc1cc2c(cn1)-c1nc(C(C)C)c(C)c(-c3ccc(F)cc3)c1CCC2
InChIInChI=1S/C24H25FN2O/c1-14(2)23-15(3)22(16-8-10-18(25)11-9-16)19-7-5-6-17-12-21(28-4)26-13-20(17)24(19)27-23/h8-14H,5-7H2,1-4H3
InChIKeyNTELFFRPWWAPBD-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.88
Rot. Bonds3

About 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 70917674) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID70917674
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCOc1cc2c(cn1)-c1nc(C(C)C)c(C)c(-c3ccc(F)cc3)c1CCC2
InChIInChI=1S/C24H25FN2O/c1-14(2)23-15(3)22(16-8-10-18(25)11-9-16)19-7-5-6-17-12-21(28-4)26-13-20(17)24(19)27-23/h8-14H,5-7H2,1-4H3
InChIKeyNTELFFRPWWAPBD-UHFFFAOYSA-N
XLogP5.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 70917674) is 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is COc1cc2c(cn1)-c1nc(C(C)C)c(C)c(-c3ccc(F)cc3)c1CCC2.
What is the InChIKey of 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is NTELFFRPWWAPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-14(2)23-15(3)22(16-8-10-18(25)11-9-16)19-7-5-6-17-12-21(28-4)26-13-20(17)24(19)27-23/h8-14H,5-7H2,1-4H3.
What are the key properties of 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 376.48 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-13-methoxy-5-methyl-4-propan-2-yl-3,14-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 70917674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).