[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone

C25H23FN4OS — CID 118659762

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCSCC1
InChIInChI=1S/C25H23FN4OS/c26-21-4-2-1-3-19(21)18-14-27-24(28-15-18)30-16-25(7-8-25)20-6-5-17(13-22(20)30)23(31)29-9-11-32-12-10-29/h1-6,13-15H,7-12,16H2
InChIKeySJJMTEAUKRYWRN-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.66
Rot. Bonds3

About [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone (PubChem CID 118659762) has the molecular formula C25H23FN4OS and a molecular weight of 446.55 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone
PubChem CID118659762
Molecular FormulaC25H23FN4OS
Molecular Weight446.55 g/mol
Exact Mass446.16
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCSCC1
InChIInChI=1S/C25H23FN4OS/c26-21-4-2-1-3-19(21)18-14-27-24(28-15-18)30-16-25(7-8-25)20-6-5-17(13-22(20)30)23(31)29-9-11-32-12-10-29/h1-6,13-15H,7-12,16H2
InChIKeySJJMTEAUKRYWRN-UHFFFAOYSA-N
XLogP4.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-Pyrimidin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
CID 155534301
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
CID 118659741
[1-[5-(2,4-Difluoro-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-piperazin-1-yl-methanone
CID 118659748
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 118659759
[1-[5-(2,6-Difluoro-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659763
methyl 2-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]-methylamino]acetate
CID 118659771
1,7-diazaspiro[4.4]nonan-7-yl-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
CID 118659772
4-Fluoro-3-[2-[6-(morpholine-4-carbonyl)-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-1-yl]-pyrimidin-5-yl]-benzonitrile
CID 118659777
1-[5-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659778
Morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-pyridin-2-yl]-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-methanone
CID 118659780
1-[5-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659783
[1-[5-(1-Fluorophenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-pyrrolidin-1-yl-methanone
CID 118659786

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone (CID 118659762) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone is O=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCSCC1.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is SJJMTEAUKRYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4OS/c26-21-4-2-1-3-19(21)18-14-27-24(28-15-18)30-16-25(7-8-25)20-6-5-17(13-22(20)30)23(31)29-9-11-32-12-10-29/h1-6,13-15H,7-12,16H2.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 446.55 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 118659762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).