[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone

C18H14F4N4O2 — CID 86274364

IUPAC[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone
SMILESCc1ccc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)o1
InChIInChI=1S/C18H14F4N4O2/c1-8-3-4-12(28-8)17-24-23-16-9(2)25(5-6-26(16)17)18(27)10-7-11(19)14(21)15(22)13(10)20/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyCVVMOLFKDHQGSD-SECBINFHSA-N
MW394.33 g/mol
LogP3.62
Rot. Bonds2

About [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone

[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone (PubChem CID 86274364) has the molecular formula C18H14F4N4O2 and a molecular weight of 394.33 g/mol. Its IUPAC name is [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone.

Molecular Properties

Compound Name[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone
PubChem CID86274364
Molecular FormulaC18H14F4N4O2
Molecular Weight394.33 g/mol
Exact Mass394.11
IUPAC Name[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone
SMILESCc1ccc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)o1
InChIInChI=1S/C18H14F4N4O2/c1-8-3-4-12(28-8)17-24-23-16-9(2)25(5-6-26(16)17)18(27)10-7-11(19)14(21)15(22)13(10)20/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyCVVMOLFKDHQGSD-SECBINFHSA-N
XLogP3.62
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone?
The IUPAC name of [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone (CID 86274364) is [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone.
What is the SMILES notation for [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone?
The canonical SMILES for [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone is Cc1ccc(-c2nnc3n2CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3C)o1.
What is the InChIKey of [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone?
The InChIKey is CVVMOLFKDHQGSD-SECBINFHSA-N. The full InChI is InChI=1S/C18H14F4N4O2/c1-8-3-4-12(28-8)17-24-23-16-9(2)25(5-6-26(16)17)18(27)10-7-11(19)14(21)15(22)13(10)20/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1.
What are the key properties of [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone?
[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone has a molecular weight of 394.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,4,5-tetrafluorophenyl)methanone is sourced from PubChem (CID 86274364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).