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

C20H14F4N4S — CID 146383944

IUPAC2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCSc1cc(-c2cccc(F)c2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C20H14F4N4S/c1-2-29-16-7-13(12-4-3-5-14(21)6-12)9-25-19(16)15-10-28-11-26-17(20(22,23)24)8-18(28)27-15/h3-11H,2H2,1H3
InChIKeyJPPCFEWSIVRDHA-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.73
Rot. Bonds4

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

2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 146383944) has the molecular formula C20H14F4N4S and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID146383944
Molecular FormulaC20H14F4N4S
Molecular Weight418.42 g/mol
Exact Mass418.09
IUPAC Name2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCSc1cc(-c2cccc(F)c2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C20H14F4N4S/c1-2-29-16-7-13(12-4-3-5-14(21)6-12)9-25-19(16)15-10-28-11-26-17(20(22,23)24)8-18(28)27-15/h3-11H,2H2,1H3
InChIKeyJPPCFEWSIVRDHA-UHFFFAOYSA-N
XLogP5.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 146383944) is 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCSc1cc(-c2cccc(F)c2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is JPPCFEWSIVRDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4S/c1-2-29-16-7-13(12-4-3-5-14(21)6-12)9-25-19(16)15-10-28-11-26-17(20(22,23)24)8-18(28)27-15/h3-11H,2H2,1H3.
What are the key properties of 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 418.42 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 146383944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).