2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol

C21H16F3N3O — CID 15980856

IUPAC2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1ccnc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c1
InChIInChI=1S/C21H16F3N3O/c1-14-9-10-25-19(11-14)20(28,21(22,23)24)16-7-8-18-15(12-16)13-26-27(18)17-5-3-2-4-6-17/h2-13,28H,1H3
InChIKeySTRRCQAJSQDDKV-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.53
Rot. Bonds3

About 2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980856) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980856
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1ccnc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c1
InChIInChI=1S/C21H16F3N3O/c1-14-9-10-25-19(11-14)20(28,21(22,23)24)16-7-8-18-15(12-16)13-26-27(18)17-5-3-2-4-6-17/h2-13,28H,1H3
InChIKeySTRRCQAJSQDDKV-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

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Related Compounds

2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888391
1-(3-Chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-YL)ethanol (enantiomeric mix)
CID 46888441
2-[5-(7-Fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 75593332
2-[5-(4,7-Difluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 137639834
1-[Hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
CID 10316704
1-(3-chlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888439
2-[5-(5-Methylindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252812
2-[5-[5-(Trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252814
2-[5-[4-(Trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252834
(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)pyridin-3-yl]propan-2-ol
CID 90252850
(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252851
(2R)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)pyridin-3-yl]propan-2-ol
CID 90252852

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980856) is 2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol is Cc1ccnc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is STRRCQAJSQDDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c1-14-9-10-25-19(11-14)20(28,21(22,23)24)16-7-8-18-15(12-16)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-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(4-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-(4-methyl-2-pyridinyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).