2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol

C23H16F4N4O — CID 24961289

IUPAC2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)nc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H16F4N4O/c1-30-13-18(17-4-2-3-5-20(17)30)22(32,23(25,26)27)15-6-8-19-14(10-15)11-29-31(19)16-7-9-21(24)28-12-16/h2-13,32H,1H3
InChIKeyLFLLZNGVDUVJFJ-UHFFFAOYSA-N
MW440.40 g/mol
LogP4.85
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol

2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol (PubChem CID 24961289) has the molecular formula C23H16F4N4O and a molecular weight of 440.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol
PubChem CID24961289
Molecular FormulaC23H16F4N4O
Molecular Weight440.40 g/mol
Exact Mass440.13
IUPAC Name2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)nc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H16F4N4O/c1-30-13-18(17-4-2-3-5-20(17)30)22(32,23(25,26)27)15-6-8-19-14(10-15)11-29-31(19)16-7-9-21(24)28-12-16/h2-13,32H,1H3
InChIKeyLFLLZNGVDUVJFJ-UHFFFAOYSA-N
XLogP4.85
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol (CID 24961289) is 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol is Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)nc3)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol?
The InChIKey is LFLLZNGVDUVJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O/c1-30-13-18(17-4-2-3-5-20(17)30)22(32,23(25,26)27)15-6-8-19-14(10-15)11-29-31(19)16-7-9-21(24)28-12-16/h2-13,32H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol?
2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol has a molecular weight of 440.40 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]-1-(1-methylindol-3-yl)ethanol is sourced from PubChem (CID 24961289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).