1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one

C18H15FN2O — CID 86722325

IUPAC1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one
SMILESO=C1CCCc2cc3c(cnn3-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C18H15FN2O/c19-15-4-6-16(7-5-15)21-18-10-12-2-1-3-17(22)9-13(12)8-14(18)11-20-21/h4-8,10-11H,1-3,9H2
InChIKeyLXMWQXZBZKYDEK-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.61
Rot. Bonds1

About 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one

1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one (PubChem CID 86722325) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one
PubChem CID86722325
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one
SMILESO=C1CCCc2cc3c(cnn3-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C18H15FN2O/c19-15-4-6-16(7-5-15)21-18-10-12-2-1-3-17(22)9-13(12)8-14(18)11-20-21/h4-8,10-11H,1-3,9H2
InChIKeyLXMWQXZBZKYDEK-UHFFFAOYSA-N
XLogP3.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one?
The IUPAC name of 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one (CID 86722325) is 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one?
The canonical SMILES for 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one is O=C1CCCc2cc3c(cnn3-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one?
The InChIKey is LXMWQXZBZKYDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-15-4-6-16(7-5-15)21-18-10-12-2-1-3-17(22)9-13(12)8-14(18)11-20-21/h4-8,10-11H,1-3,9H2.
What are the key properties of 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one?
1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one has a molecular weight of 294.33 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one is sourced from PubChem (CID 86722325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).