2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C19H14FN7 — CID 118525782

IUPAC2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3cc4nc(-c5ccccn5)[nH]c4cc3F)nc12
InChIInChI=1S/C19H14FN7/c1-10-9-22-11(2)19-25-17(26-27(10)19)12-7-15-16(8-13(12)20)24-18(23-15)14-5-3-4-6-21-14/h3-9H,1-2H3,(H,23,24)
InChIKeyISUUESMBFUPEGK-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.49
Rot. Bonds2

About 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 118525782) has the molecular formula C19H14FN7 and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID118525782
Molecular FormulaC19H14FN7
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3cc4nc(-c5ccccn5)[nH]c4cc3F)nc12
InChIInChI=1S/C19H14FN7/c1-10-9-22-11(2)19-25-17(26-27(10)19)12-7-15-16(8-13(12)20)24-18(23-15)14-5-3-4-6-21-14/h3-9H,1-2H3,(H,23,24)
InChIKeyISUUESMBFUPEGK-UHFFFAOYSA-N
XLogP3.49
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 118525782) is 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(-c3cc4nc(-c5ccccn5)[nH]c4cc3F)nc12.
What is the InChIKey of 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is ISUUESMBFUPEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7/c1-10-9-22-11(2)19-25-17(26-27(10)19)12-7-15-16(8-13(12)20)24-18(23-15)14-5-3-4-6-21-14/h3-9H,1-2H3,(H,23,24).
What are the key properties of 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 359.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118525782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).