2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol

C22H23FN2OS — CID 15605169

IUPAC2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1ccc(C)s1
InChIInChI=1S/C22H23FN2OS/c1-14-10-19-16(13-24-25(19)18-7-5-17(23)6-8-18)11-22(14,3)12-20(26)21-9-4-15(2)27-21/h4-10,13,20,26H,11-12H2,1-3H3/t20?,22-/m1/s1
InChIKeyMHALRJODRFXHBU-LWMIZPGFSA-N
MW382.50 g/mol
LogP5.47
Rot. Bonds4

About 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol

2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 15605169) has the molecular formula C22H23FN2OS and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
PubChem CID15605169
Molecular FormulaC22H23FN2OS
Molecular Weight382.50 g/mol
Exact Mass382.15
IUPAC Name2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1ccc(C)s1
InChIInChI=1S/C22H23FN2OS/c1-14-10-19-16(13-24-25(19)18-7-5-17(23)6-8-18)11-22(14,3)12-20(26)21-9-4-15(2)27-21/h4-10,13,20,26H,11-12H2,1-3H3/t20?,22-/m1/s1
InChIKeyMHALRJODRFXHBU-LWMIZPGFSA-N
XLogP5.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.47
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-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol (CID 15605169) is 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol is CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1ccc(C)s1.
What is the InChIKey of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is MHALRJODRFXHBU-LWMIZPGFSA-N. The full InChI is InChI=1S/C22H23FN2OS/c1-14-10-19-16(13-24-25(19)18-7-5-17(23)6-8-18)11-22(14,3)12-20(26)21-9-4-15(2)27-21/h4-10,13,20,26H,11-12H2,1-3H3/t20?,22-/m1/s1.
What are the key properties of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol?
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 382.50 g/mol, XLogP of 5.47, 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-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 15605169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).