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

C22H19N5O2 — CID 118735348

IUPAC[4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1
InChIInChI=1S/C22H19N5O2/c1-15-5-10-19(29-15)16-6-8-17(9-7-16)22(28)26-12-13-27-20(14-26)24-25-21(27)18-4-2-3-11-23-18/h2-11H,12-14H2,1H3
InChIKeyVLQQMEWOBPICFJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.56
Rot. Bonds3

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

[4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 118735348) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID118735348
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name[4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1
InChIInChI=1S/C22H19N5O2/c1-15-5-10-19(29-15)16-6-8-17(9-7-16)22(28)26-12-13-27-20(14-26)24-25-21(27)18-4-2-3-11-23-18/h2-11H,12-14H2,1H3
InChIKeyVLQQMEWOBPICFJ-UHFFFAOYSA-N
XLogP3.56
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 118735348) is [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)o1.
What is the InChIKey of [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is VLQQMEWOBPICFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-5-10-19(29-15)16-6-8-17(9-7-16)22(28)26-12-13-27-20(14-26)24-25-21(27)18-4-2-3-11-23-18/h2-11H,12-14H2,1H3.
What are the key properties of [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 385.43 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylfuran-2-yl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 118735348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).