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

C25H19N5O2 — CID 53482477

IUPAC[4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(-c2ccoc2)cc1)N1CCn2c(nnc2-c2ccc3ccccc3n2)C1
InChIInChI=1S/C25H19N5O2/c31-25(19-7-5-17(6-8-19)20-11-14-32-16-20)29-12-13-30-23(15-29)27-28-24(30)22-10-9-18-3-1-2-4-21(18)26-22/h1-11,14,16H,12-13,15H2
InChIKeyMSKBLRXLZDOIKB-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.41
Rot. Bonds3

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

[4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 53482477) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID53482477
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name[4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(-c2ccoc2)cc1)N1CCn2c(nnc2-c2ccc3ccccc3n2)C1
InChIInChI=1S/C25H19N5O2/c31-25(19-7-5-17(6-8-19)20-11-14-32-16-20)29-12-13-30-23(15-29)27-28-24(30)22-10-9-18-3-1-2-4-21(18)26-22/h1-11,14,16H,12-13,15H2
InChIKeyMSKBLRXLZDOIKB-UHFFFAOYSA-N
XLogP4.41
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 53482477) is [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(c1ccc(-c2ccoc2)cc1)N1CCn2c(nnc2-c2ccc3ccccc3n2)C1.
What is the InChIKey of [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is MSKBLRXLZDOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c31-25(19-7-5-17(6-8-19)20-11-14-32-16-20)29-12-13-30-23(15-29)27-28-24(30)22-10-9-18-3-1-2-4-21(18)26-22/h1-11,14,16H,12-13,15H2.
What are the key properties of [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 421.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-3-yl)phenyl]-(3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 53482477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).