imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

C21H21F3N4O3S — CID 154889210

IUPACimidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1SC1CCN(C(=O)c2cn3cccnc3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N4OS.C2HF3O2/c1-14-5-2-3-6-17(14)25-15-7-11-22(12-8-15)18(24)16-13-23-10-4-9-20-19(23)21-16;3-2(4,5)1(6)7/h2-6,9-10,13,15H,7-8,11-12H2,1H3;(H,6,7)
InChIKeyRNOILMVPYFGUNY-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.07
Rot. Bonds3

About imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 154889210) has the molecular formula C21H21F3N4O3S and a molecular weight of 466.49 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID154889210
Molecular FormulaC21H21F3N4O3S
Molecular Weight466.49 g/mol
Exact Mass466.13
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1SC1CCN(C(=O)c2cn3cccnc3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N4OS.C2HF3O2/c1-14-5-2-3-6-17(14)25-15-7-11-22(12-8-15)18(24)16-13-23-10-4-9-20-19(23)21-16;3-2(4,5)1(6)7/h2-6,9-10,13,15H,7-8,11-12H2,1H3;(H,6,7)
InChIKeyRNOILMVPYFGUNY-UHFFFAOYSA-N
XLogP4.07
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
CID 70757092
2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92633913
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 118777555
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95188191
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
[(3aR,6aS)-5-[2-(trifluoromethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 153359249
3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 125011374
N-[(4R,5S)-5-hydroxy-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 135087354
3-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 70747663

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (CID 154889210) is imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is Cc1ccccc1SC1CCN(C(=O)c2cn3cccnc3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is RNOILMVPYFGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS.C2HF3O2/c1-14-5-2-3-6-17(14)25-15-7-11-22(12-8-15)18(24)16-13-23-10-4-9-20-19(23)21-16;3-2(4,5)1(6)7/h2-6,9-10,13,15H,7-8,11-12H2,1H3;(H,6,7).
What are the key properties of imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 466.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154889210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).