2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol

C22H22FN3O — CID 15605227

IUPAC2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1cccnc1
InChIInChI=1S/C22H22FN3O/c1-15-10-20-17(14-25-26(20)19-7-5-18(23)6-8-19)11-22(15,2)12-21(27)16-4-3-9-24-13-16/h3-10,13-14,21,27H,11-12H2,1-2H3/t21?,22-/m1/s1
InChIKeyHFWLMXWDFZHERZ-FOIFJWKZSA-N
MW363.44 g/mol
LogP4.50
Rot. Bonds4

About 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol

2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol (PubChem CID 15605227) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol
PubChem CID15605227
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1cccnc1
InChIInChI=1S/C22H22FN3O/c1-15-10-20-17(14-25-26(20)19-7-5-18(23)6-8-19)11-22(15,2)12-21(27)16-4-3-9-24-13-16/h3-10,13-14,21,27H,11-12H2,1-2H3/t21?,22-/m1/s1
InChIKeyHFWLMXWDFZHERZ-FOIFJWKZSA-N
XLogP4.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol (CID 15605227) is 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol is CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1cccnc1.
What is the InChIKey of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol?
The InChIKey is HFWLMXWDFZHERZ-FOIFJWKZSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-10-20-17(14-25-26(20)19-7-5-18(23)6-8-19)11-22(15,2)12-21(27)16-4-3-9-24-13-16/h3-10,13-14,21,27H,11-12H2,1-2H3/t21?,22-/m1/s1.
What are the key properties of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol?
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol has a molecular weight of 363.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 15605227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).