1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol

C25H16F7N3O — CID 87644865

IUPAC1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
SMILESOC(Cc1cc2ccc(C(F)(F)F)cc2[nH]1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C25H16F7N3O/c26-18-4-6-20(7-5-18)35-22-8-3-16(9-15(22)13-33-35)23(36,25(30,31)32)12-19-10-14-1-2-17(24(27,28)29)11-21(14)34-19/h1-11,13,34,36H,12H2
InChIKeyLPCGQYXHDBPZNR-UHFFFAOYSA-N
MW507.41 g/mol
LogP6.66
Rot. Bonds4

About 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol

1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol (PubChem CID 87644865) has the molecular formula C25H16F7N3O and a molecular weight of 507.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
PubChem CID87644865
Molecular FormulaC25H16F7N3O
Molecular Weight507.41 g/mol
Exact Mass507.12
IUPAC Name1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
SMILESOC(Cc1cc2ccc(C(F)(F)F)cc2[nH]1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C25H16F7N3O/c26-18-4-6-20(7-5-18)35-22-8-3-16(9-15(22)13-33-35)23(36,25(30,31)32)12-19-10-14-1-2-17(24(27,28)29)11-21(14)34-19/h1-11,13,34,36H,12H2
InChIKeyLPCGQYXHDBPZNR-UHFFFAOYSA-N
XLogP6.66
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.41
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol (CID 87644865) is 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol is OC(Cc1cc2ccc(C(F)(F)F)cc2[nH]1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The InChIKey is LPCGQYXHDBPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F7N3O/c26-18-4-6-20(7-5-18)35-22-8-3-16(9-15(22)13-33-35)23(36,25(30,31)32)12-19-10-14-1-2-17(24(27,28)29)11-21(14)34-19/h1-11,13,34,36H,12H2.
What are the key properties of 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol has a molecular weight of 507.41 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[6-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol is sourced from PubChem (CID 87644865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).