2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol

C22H20FN3O2S — CID 129283420

IUPAC2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol
SMILESO=S(CCO)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C22H20FN3O2S/c23-19-4-2-1-3-17(19)15-12-24-21(25-13-15)26-14-22(7-8-22)18-6-5-16(11-20(18)26)29(28)10-9-27/h1-6,11-13,27H,7-10,14H2
InChIKeyWPTKXPXRCDDWPU-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.57
Rot. Bonds5

About 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol

2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol (PubChem CID 129283420) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol.

Molecular Properties

Compound Name2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol
PubChem CID129283420
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol
SMILESO=S(CCO)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C22H20FN3O2S/c23-19-4-2-1-3-17(19)15-12-24-21(25-13-15)26-14-22(7-8-22)18-6-5-16(11-20(18)26)29(28)10-9-27/h1-6,11-13,27H,7-10,14H2
InChIKeyWPTKXPXRCDDWPU-UHFFFAOYSA-N
XLogP3.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol 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-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol?
The IUPAC name of 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol (CID 129283420) is 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol.
What is the SMILES notation for 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol?
The canonical SMILES for 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol is O=S(CCO)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.
What is the InChIKey of 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol?
The InChIKey is WPTKXPXRCDDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c23-19-4-2-1-3-17(19)15-12-24-21(25-13-15)26-14-22(7-8-22)18-6-5-16(11-20(18)26)29(28)10-9-27/h1-6,11-13,27H,7-10,14H2.
What are the key properties of 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol?
2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol has a molecular weight of 409.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol is sourced from PubChem (CID 129283420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).