6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine

C19H19FN6 — CID 58748663

IUPAC6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncc2c(C)ncn12
InChIInChI=1S/C19H19FN6/c1-3-5-16-15(22-10-17-13(2)23-12-26(16)17)11-25-9-8-21-19(25)14-6-4-7-18(20)24-14/h4,6-10,12H,3,5,11H2,1-2H3
InChIKeyDBCZSKNEIQHYDL-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.44
Rot. Bonds5

About 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine

6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine (PubChem CID 58748663) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine
PubChem CID58748663
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine
SMILESCCCc1c(Cn2ccnc2-c2cccc(F)n2)ncc2c(C)ncn12
InChIInChI=1S/C19H19FN6/c1-3-5-16-15(22-10-17-13(2)23-12-26(16)17)11-25-9-8-21-19(25)14-6-4-7-18(20)24-14/h4,6-10,12H,3,5,11H2,1-2H3
InChIKeyDBCZSKNEIQHYDL-UHFFFAOYSA-N
XLogP3.44
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine?
The IUPAC name of 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine (CID 58748663) is 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine?
The canonical SMILES for 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine is CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncc2c(C)ncn12.
What is the InChIKey of 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine?
The InChIKey is DBCZSKNEIQHYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6/c1-3-5-16-15(22-10-17-13(2)23-12-26(16)17)11-25-9-8-21-19(25)14-6-4-7-18(20)24-14/h4,6-10,12H,3,5,11H2,1-2H3.
What are the key properties of 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine?
6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine has a molecular weight of 350.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 58748663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).