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

C21H21FN2OS — CID 15604814

IUPAC2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1cccs1
InChIInChI=1S/C21H21FN2OS/c1-14-10-18-15(13-23-24(18)17-7-5-16(22)6-8-17)11-21(14,2)12-19(25)20-4-3-9-26-20/h3-10,13,19,25H,11-12H2,1-2H3/t19?,21-/m1/s1
InChIKeyVSNBTBOTVSKNJC-VGAJERRHSA-N
MW368.48 g/mol
LogP5.16
Rot. Bonds4

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

2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol (PubChem CID 15604814) has the molecular formula C21H21FN2OS and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
PubChem CID15604814
Molecular FormulaC21H21FN2OS
Molecular Weight368.48 g/mol
Exact Mass368.14
IUPAC Name2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1cccs1
InChIInChI=1S/C21H21FN2OS/c1-14-10-18-15(13-23-24(18)17-7-5-16(22)6-8-17)11-21(14,2)12-19(25)20-4-3-9-26-20/h3-10,13,19,25H,11-12H2,1-2H3/t19?,21-/m1/s1
InChIKeyVSNBTBOTVSKNJC-VGAJERRHSA-N
XLogP5.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol (CID 15604814) is 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol is CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(O)c1cccs1.
What is the InChIKey of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol?
The InChIKey is VSNBTBOTVSKNJC-VGAJERRHSA-N. The full InChI is InChI=1S/C21H21FN2OS/c1-14-10-18-15(13-23-24(18)17-7-5-16(22)6-8-17)11-21(14,2)12-19(25)20-4-3-9-26-20/h3-10,13,19,25H,11-12H2,1-2H3/t19?,21-/m1/s1.
What are the key properties of 2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol?
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol has a molecular weight of 368.48 g/mol, XLogP of 5.16, 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-thiophen-2-ylethanol is sourced from PubChem (CID 15604814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).