N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide

C15H12F6N6O3S — CID 169180037

IUPACN-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCCS(=O)(=O)c1c(-c2cn3cnc(C(F)(F)F)cc3n2)nn(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C15H12F6N6O3S/c1-3-31(29,30)11-10(25-26(2)12(11)24-13(28)15(19,20)21)7-5-27-6-22-8(14(16,17)18)4-9(27)23-7/h4-6H,3H2,1-2H3,(H,24,28)
InChIKeyJTPGFNWXJCNUPN-UHFFFAOYSA-N
MW470.36 g/mol
LogP2.44
Rot. Bonds4

About N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide

N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 169180037) has the molecular formula C15H12F6N6O3S and a molecular weight of 470.36 g/mol. Its IUPAC name is N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID169180037
Molecular FormulaC15H12F6N6O3S
Molecular Weight470.36 g/mol
Exact Mass470.06
IUPAC NameN-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCCS(=O)(=O)c1c(-c2cn3cnc(C(F)(F)F)cc3n2)nn(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C15H12F6N6O3S/c1-3-31(29,30)11-10(25-26(2)12(11)24-13(28)15(19,20)21)7-5-27-6-22-8(14(16,17)18)4-9(27)23-7/h4-6H,3H2,1-2H3,(H,24,28)
InChIKeyJTPGFNWXJCNUPN-UHFFFAOYSA-N
XLogP2.44
TPSA111.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate
CID 169180020
2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 142468729
2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 155076701
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146589669
N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide
CID 171490747
2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile
CID 146467202
3-ethylsulfinyl-2-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]quinoline
CID 145113536
2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 166978580
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
CID 142621010
2-[3-ethylsulfinyl-5-(methylsulfanylmethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 166978597
2-[5-(3,5-difluorophenyl)-3-ethylsulfinyl-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;hydrate
CID 145075320
2-[3-ethylsulfonyl-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]-7-(1,1,2,2,2-pentafluoroethyl)imidazo[1,2-c]pyrimidine
CID 159601668

Frequently Asked Questions

What is the IUPAC name of N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide (CID 169180037) is N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide is CCS(=O)(=O)c1c(-c2cn3cnc(C(F)(F)F)cc3n2)nn(C)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is JTPGFNWXJCNUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N6O3S/c1-3-31(29,30)11-10(25-26(2)12(11)24-13(28)15(19,20)21)7-5-27-6-22-8(14(16,17)18)4-9(27)23-7/h4-6H,3H2,1-2H3,(H,24,28).
What are the key properties of N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide?
N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 470.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 169180037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).