2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C16H12F6N4O3S — CID 142468729

IUPAC2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCS(=O)(=O)c1cc(OCC(F)(F)F)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H12F6N4O3S/c1-2-30(27,28)11-3-9(29-7-15(17,18)19)5-23-14(11)10-6-26-8-24-12(16(20,21)22)4-13(26)25-10/h3-6,8H,2,7H2,1H3
InChIKeyOFYAXRYRLVITTR-UHFFFAOYSA-N
MW454.35 g/mol
LogP3.54
Rot. Bonds5

About 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 142468729) has the molecular formula C16H12F6N4O3S and a molecular weight of 454.35 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID142468729
Molecular FormulaC16H12F6N4O3S
Molecular Weight454.35 g/mol
Exact Mass454.05
IUPAC Name2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCS(=O)(=O)c1cc(OCC(F)(F)F)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H12F6N4O3S/c1-2-30(27,28)11-3-9(29-7-15(17,18)19)5-23-14(11)10-6-26-8-24-12(16(20,21)22)4-13(26)25-10/h3-6,8H,2,7H2,1H3
InChIKeyOFYAXRYRLVITTR-UHFFFAOYSA-N
XLogP3.54
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile
CID 146467202
2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 155076701
2-[3-ethylsulfinyl-5-(methylsulfanylmethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 166978597
2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 166978580
N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 169180037
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146589669
2-[5-(3,5-difluorophenyl)-3-ethylsulfinyl-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;hydrate
CID 145075320
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 155730506
5-[3-ethylsulfonyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834187
5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine
CID 156834337

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 142468729) is 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCS(=O)(=O)c1cc(OCC(F)(F)F)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is OFYAXRYRLVITTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N4O3S/c1-2-30(27,28)11-3-9(29-7-15(17,18)19)5-23-14(11)10-6-26-8-24-12(16(20,21)22)4-13(26)25-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 454.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 142468729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).