3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

C21H19FN6O — CID 91799412

IUPAC3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCc1nc(-c2ccccc2F)c2c(N3CCc4noc(C5CC5)c4C3)ncnn12
InChIInChI=1S/C21H19FN6O/c1-12-25-18(14-4-2-3-5-16(14)22)19-21(23-11-24-28(12)19)27-9-8-17-15(10-27)20(29-26-17)13-6-7-13/h2-5,11,13H,6-10H2,1H3
InChIKeyOKQIQXMDRFQMTE-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.67
Rot. Bonds3

About 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 91799412) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
PubChem CID91799412
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCc1nc(-c2ccccc2F)c2c(N3CCc4noc(C5CC5)c4C3)ncnn12
InChIInChI=1S/C21H19FN6O/c1-12-25-18(14-4-2-3-5-16(14)22)19-21(23-11-24-28(12)19)27-9-8-17-15(10-27)20(29-26-17)13-6-7-13/h2-5,11,13H,6-10H2,1H3
InChIKeyOKQIQXMDRFQMTE-UHFFFAOYSA-N
XLogP3.67
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (CID 91799412) is 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is Cc1nc(-c2ccccc2F)c2c(N3CCc4noc(C5CC5)c4C3)ncnn12.
What is the InChIKey of 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is OKQIQXMDRFQMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-25-18(14-4-2-3-5-16(14)22)19-21(23-11-24-28(12)19)27-9-8-17-15(10-27)20(29-26-17)13-6-7-13/h2-5,11,13H,6-10H2,1H3.
What are the key properties of 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 390.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 91799412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).