2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol

C23H17F3N4O — CID 24960554

IUPAC2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3c(cnn3-c3ccncc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H17F3N4O/c1-29-14-19(18-4-2-3-5-21(18)29)22(31,23(24,25)26)16-6-7-20-15(12-16)13-28-30(20)17-8-10-27-11-9-17/h2-14,31H,1H3
InChIKeyGDWFEVRXJQQQEA-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.71
Rot. Bonds3

About 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol (PubChem CID 24960554) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol
PubChem CID24960554
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC Name2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3c(cnn3-c3ccncc3)c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H17F3N4O/c1-29-14-19(18-4-2-3-5-21(18)29)22(31,23(24,25)26)16-6-7-20-15(12-16)13-28-30(20)17-8-10-27-11-9-17/h2-14,31H,1H3
InChIKeyGDWFEVRXJQQQEA-UHFFFAOYSA-N
XLogP4.71
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol (CID 24960554) is 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol is Cn1cc(C(O)(c2ccc3c(cnn3-c3ccncc3)c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol?
The InChIKey is GDWFEVRXJQQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c1-29-14-19(18-4-2-3-5-21(18)29)22(31,23(24,25)26)16-6-7-20-15(12-16)13-28-30(20)17-8-10-27-11-9-17/h2-14,31H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol has a molecular weight of 422.41 g/mol, XLogP of 4.71, 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-methylindol-3-yl)-1-(1-pyridin-4-ylindazol-5-yl)ethanol is sourced from PubChem (CID 24960554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).