(4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C21H21FN6O2 — CID 53482211

IUPAC(4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(N3CCOCC3)n2)C1
InChIInChI=1S/C21H21FN6O2/c22-16-6-4-15(5-7-16)21(29)27-8-9-28-19(14-27)24-25-20(28)17-2-1-3-18(23-17)26-10-12-30-13-11-26/h1-7H,8-14H2
InChIKeyJSPCUQVOPZPVSX-UHFFFAOYSA-N
MW408.44 g/mol
LogP1.97
Rot. Bonds3

About (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 53482211) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID53482211
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name(4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(N3CCOCC3)n2)C1
InChIInChI=1S/C21H21FN6O2/c22-16-6-4-15(5-7-16)21(29)27-8-9-28-19(14-27)24-25-20(28)17-2-1-3-18(23-17)26-10-12-30-13-11-26/h1-7H,8-14H2
InChIKeyJSPCUQVOPZPVSX-UHFFFAOYSA-N
XLogP1.97
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

2-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1069844
2-[(4-Benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
CID 1100830
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 1110941
(4-fluorophenyl)(8-methyl-3-(6-methylpyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67451905
(R)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67452275
(4-fluorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453148
(4-fluorophenyl)-[3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453320
(4-fluorophenyl)-[3-[6-(trifluoromethyl)pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71225056
4-(6-(4-(Morpholine-4-carbonyl)phenyl)imidazo[1,2-b]pyridazin-3-yl)benzonitrile
CID 71744719
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118949568
US9555022, Example 04.33
CID 54772178
3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]benzamide
CID 90463206

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 53482211) is (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2cccc(N3CCOCC3)n2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is JSPCUQVOPZPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c22-16-6-4-15(5-7-16)21(29)27-8-9-28-19(14-27)24-25-20(28)17-2-1-3-18(23-17)26-10-12-30-13-11-26/h1-7H,8-14H2.
What are the key properties of (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 408.44 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(6-morpholin-4-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 53482211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).