2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine

C13H9ClF3N5S — CID 155796615

IUPAC2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine
SMILESCCn1c(Cl)nc2nc(Sc3cccnc3C(F)(F)F)cnc21
InChIInChI=1S/C13H9ClF3N5S/c1-2-22-11-10(21-12(22)14)20-8(6-19-11)23-7-4-3-5-18-9(7)13(15,16)17/h3-6H,2H2,1H3
InChIKeyRZFUHKPARZCBRB-UHFFFAOYSA-N
MW359.76 g/mol
LogP4.06
Rot. Bonds3

About 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine

2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine (PubChem CID 155796615) has the molecular formula C13H9ClF3N5S and a molecular weight of 359.76 g/mol. Its IUPAC name is 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine
PubChem CID155796615
Molecular FormulaC13H9ClF3N5S
Molecular Weight359.76 g/mol
Exact Mass359.02
IUPAC Name2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine
SMILESCCn1c(Cl)nc2nc(Sc3cccnc3C(F)(F)F)cnc21
InChIInChI=1S/C13H9ClF3N5S/c1-2-22-11-10(21-12(22)14)20-8(6-19-11)23-7-4-3-5-18-9(7)13(15,16)17/h3-6H,2H2,1H3
InChIKeyRZFUHKPARZCBRB-UHFFFAOYSA-N
XLogP4.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine?
The IUPAC name of 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine (CID 155796615) is 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine.
What is the SMILES notation for 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine?
The canonical SMILES for 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine is CCn1c(Cl)nc2nc(Sc3cccnc3C(F)(F)F)cnc21.
What is the InChIKey of 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine?
The InChIKey is RZFUHKPARZCBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N5S/c1-2-22-11-10(21-12(22)14)20-8(6-19-11)23-7-4-3-5-18-9(7)13(15,16)17/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine?
2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine has a molecular weight of 359.76 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 155796615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).