1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol

C27H23F3N2O2 — CID 143372109

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol
SMILESC=CC(F)(F)C(O)(COc1ccc2c(c1)CCC2)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C27H23F3N2O2/c1-2-27(29,30)26(33,17-34-24-12-6-18-4-3-5-19(18)15-24)21-7-13-25-20(14-21)16-31-32(25)23-10-8-22(28)9-11-23/h2,6-16,33H,1,3-5,17H2
InChIKeyUVLGTXNRQYLRHS-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.74
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol

1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol (PubChem CID 143372109) has the molecular formula C27H23F3N2O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol
PubChem CID143372109
Molecular FormulaC27H23F3N2O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol
SMILESC=CC(F)(F)C(O)(COc1ccc2c(c1)CCC2)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C27H23F3N2O2/c1-2-27(29,30)26(33,17-34-24-12-6-18-4-3-5-19(18)15-24)21-7-13-25-20(14-21)16-31-32(25)23-10-8-22(28)9-11-23/h2,6-16,33H,1,3-5,17H2
InChIKeyUVLGTXNRQYLRHS-UHFFFAOYSA-N
XLogP5.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol (CID 143372109) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol is C=CC(F)(F)C(O)(COc1ccc2c(c1)CCC2)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol?
The InChIKey is UVLGTXNRQYLRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O2/c1-2-27(29,30)26(33,17-34-24-12-6-18-4-3-5-19(18)15-24)21-7-13-25-20(14-21)16-31-32(25)23-10-8-22(28)9-11-23/h2,6-16,33H,1,3-5,17H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol has a molecular weight of 464.49 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3,3-difluoro-2-[1-(4-fluorophenyl)indazol-5-yl]pent-4-en-2-ol is sourced from PubChem (CID 143372109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).