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

C22H20FN3O3S — CID 129283511

IUPAC2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol
SMILESO=S(=O)(CCO)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C22H20FN3O3S/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)30(28,29)10-9-27/h1-6,11-13,27H,7-10,14H2
InChIKeyFLNVNFMYWCGYGW-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.23
Rot. Bonds5

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

2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol (PubChem CID 129283511) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol.

Molecular Properties

Compound Name2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol
PubChem CID129283511
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol
SMILESO=S(=O)(CCO)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C22H20FN3O3S/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)30(28,29)10-9-27/h1-6,11-13,27H,7-10,14H2
InChIKeyFLNVNFMYWCGYGW-UHFFFAOYSA-N
XLogP3.23
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluorophenyl)-N-[3-[2-(prop-2-enylamino)ethylsulfonyl]phenyl]pyrimidin-2-amine
CID 70695575
2-[5-Fluoro-2-methyl-3-[(6-pyrimidin-5-ylsulfonylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dihydroindol-1-yl]acetic acid
CID 68311871
(1S)-1-[3-[2-(6-ethylsulfonylspiro[2H-indole-3,3'-oxetane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]ethanol
CID 129282285
(1R)-1-[3-[2-(6-ethylsulfonylspiro[2H-indole-3,3'-oxetane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]ethanol
CID 129282289
2-[3-[2-(6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
CID 129282330
2-[3-[2-(6-ethylsulfonylspiro[2H-indole-3,3'-oxetane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
CID 129282350
2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylethanol
CID 129283420
3-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylpropan-1-ol
CID 129283421
3-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfinylbutan-1-ol
CID 129283447
3-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylpropan-1-ol
CID 129283453
3-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylbutan-1-ol
CID 129283471
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfonylspiro[2H-indole-3,1'-cyclopropane]
CID 129283486

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]sulfonylethanol?
The IUPAC name of 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol (CID 129283511) is 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol.
What is the SMILES notation for 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol?
The canonical SMILES for 2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol is O=S(=O)(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]sulfonylethanol?
The InChIKey is FLNVNFMYWCGYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/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)30(28,29)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]sulfonylethanol?
2-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]sulfonylethanol has a molecular weight of 425.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]sulfonylethanol is sourced from PubChem (CID 129283511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).