2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol

C21H16F3N3O — CID 15980857

IUPAC2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)nc1
InChIInChI=1S/C21H16F3N3O/c1-14-7-10-19(25-12-14)20(28,21(22,23)24)16-8-9-18-15(11-16)13-26-27(18)17-5-3-2-4-6-17/h2-13,28H,1H3
InChIKeyMEASMFPGCDTJOD-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.53
Rot. Bonds3

About 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980857) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980857
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)nc1
InChIInChI=1S/C21H16F3N3O/c1-14-7-10-19(25-12-14)20(28,21(22,23)24)16-8-9-18-15(11-16)13-26-27(18)17-5-3-2-4-6-17/h2-13,28H,1H3
InChIKeyMEASMFPGCDTJOD-UHFFFAOYSA-N
XLogP4.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol 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 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980857) is 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol is Cc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)nc1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is MEASMFPGCDTJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c1-14-7-10-19(25-12-14)20(28,21(22,23)24)16-8-9-18-15(11-16)13-26-27(18)17-5-3-2-4-6-17/h2-13,28H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 383.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).