2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C14H10ClF3N4O2S — CID 153412150

IUPAC2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCOSOc1c(-c2cnc(Cl)cn2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C14H10ClF3N4O2S/c1-2-23-25-24-13-12(9-5-20-10(15)6-19-9)21-11-4-3-8(7-22(11)13)14(16,17)18/h3-7H,2H2,1H3
InChIKeyLBVBKXQZGSTKBX-UHFFFAOYSA-N
MW390.77 g/mol
LogP4.44
Rot. Bonds5

About 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine

2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 153412150) has the molecular formula C14H10ClF3N4O2S and a molecular weight of 390.77 g/mol. Its IUPAC name is 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID153412150
Molecular FormulaC14H10ClF3N4O2S
Molecular Weight390.77 g/mol
Exact Mass390.02
IUPAC Name2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCOSOc1c(-c2cnc(Cl)cn2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C14H10ClF3N4O2S/c1-2-23-25-24-13-12(9-5-20-10(15)6-19-9)21-11-4-3-8(7-22(11)13)14(16,17)18/h3-7H,2H2,1H3
InChIKeyLBVBKXQZGSTKBX-UHFFFAOYSA-N
XLogP4.44
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.77
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153412147
2-[3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,5-dimethylpyrazolo[3,4-b]pyridin-3-one
CID 163790798
6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine
CID 164816748
3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 144859954
3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163221579
1-[2-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 84711114
2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
CID 172596791
2-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 82530298
2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 170514772
3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
CID 156742112
3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine
CID 151101401
2-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060765

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 153412150) is 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CCOSOc1c(-c2cnc(Cl)cn2)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is LBVBKXQZGSTKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O2S/c1-2-23-25-24-13-12(9-5-20-10(15)6-19-9)21-11-4-3-8(7-22(11)13)14(16,17)18/h3-7H,2H2,1H3.
What are the key properties of 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 390.77 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 153412150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).