2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol

C16H15F3N4OS — CID 142468749

IUPAC2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol
SMILESCCSc1cc(O)c(CC)nc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H15F3N4OS/c1-3-9-11(24)5-12(25-4-2)15(22-9)10-7-23-8-20-13(16(17,18)19)6-14(23)21-10/h5-8,24H,3-4H2,1-2H3
InChIKeyCVMORMLRGSBBPW-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.19
Rot. Bonds4

About 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol

2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol (PubChem CID 142468749) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol
PubChem CID142468749
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC Name2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol
SMILESCCSc1cc(O)c(CC)nc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H15F3N4OS/c1-3-9-11(24)5-12(25-4-2)15(22-9)10-7-23-8-20-13(16(17,18)19)6-14(23)21-10/h5-8,24H,3-4H2,1-2H3
InChIKeyCVMORMLRGSBBPW-UHFFFAOYSA-N
XLogP4.19
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol with MolForge

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Related Compounds

2-[5-(Difluoromethoxy)-3-ethylsulfanyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117781020
2-[5-(Difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 123197728
2-[3-Ethylsulfanyl-5-[(2-methylpropan-2-yl)oxy]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135368168
5-Ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 136933492
5-Ethylsulfanyl-4-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 137256627
5-Ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 137256628
5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 137303411
5-Ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol
CID 137315699
3-Ethylsulfanyl-2-(5-methoxy-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139333868
6-[3-Methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyridin-3-ol
CID 139333900
6-[3-Ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyridin-3-ol
CID 140307604
2-(3-Ethylsulfonyl-5-propan-2-yloxypyridin-2-yl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 142468724

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol?
The IUPAC name of 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol (CID 142468749) is 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol.
What is the SMILES notation for 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol?
The canonical SMILES for 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol is CCSc1cc(O)c(CC)nc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol?
The InChIKey is CVMORMLRGSBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-3-9-11(24)5-12(25-4-2)15(22-9)10-7-23-8-20-13(16(17,18)19)6-14(23)21-10/h5-8,24H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol?
2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol has a molecular weight of 368.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-ethylsulfanyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridin-3-ol is sourced from PubChem (CID 142468749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).