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

C23H23FN2OS — CID 15604896

IUPAC2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
SMILESC[C@]1(CC(O)c2cccs2)Cc2cnn(-c3ccc(F)cc3)c2C=C1C1CC1
InChIInChI=1S/C23H23FN2OS/c1-23(13-21(27)22-3-2-10-28-22)12-16-14-25-26(18-8-6-17(24)7-9-18)20(16)11-19(23)15-4-5-15/h2-3,6-11,14-15,21,27H,4-5,12-13H2,1H3/t21?,23-/m1/s1
InChIKeySBTZERIRTNSMSV-JFGZAKSSSA-N
MW394.52 g/mol
LogP5.55
Rot. Bonds5

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

2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol (PubChem CID 15604896) has the molecular formula C23H23FN2OS and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
PubChem CID15604896
Molecular FormulaC23H23FN2OS
Molecular Weight394.52 g/mol
Exact Mass394.15
IUPAC Name2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
SMILESC[C@]1(CC(O)c2cccs2)Cc2cnn(-c3ccc(F)cc3)c2C=C1C1CC1
InChIInChI=1S/C23H23FN2OS/c1-23(13-21(27)22-3-2-10-28-22)12-16-14-25-26(18-8-6-17(24)7-9-18)20(16)11-19(23)15-4-5-15/h2-3,6-11,14-15,21,27H,4-5,12-13H2,1H3/t21?,23-/m1/s1
InChIKeySBTZERIRTNSMSV-JFGZAKSSSA-N
XLogP5.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol (CID 15604896) is 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol is C[C@]1(CC(O)c2cccs2)Cc2cnn(-c3ccc(F)cc3)c2C=C1C1CC1.
What is the InChIKey of 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol?
The InChIKey is SBTZERIRTNSMSV-JFGZAKSSSA-N. The full InChI is InChI=1S/C23H23FN2OS/c1-23(13-21(27)22-3-2-10-28-22)12-16-14-25-26(18-8-6-17(24)7-9-18)20(16)11-19(23)15-4-5-15/h2-3,6-11,14-15,21,27H,4-5,12-13H2,1H3/t21?,23-/m1/s1.
What are the key properties of 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol?
2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol has a molecular weight of 394.52 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-6-cyclopropyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 15604896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).