4'-(3-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-4-biphenylcarbonitrile

HCID 53373554
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Basic information

Standard SMILES
N#Cc1ccc(-c2ccc(-n3c(C[C@@H]4CCN(C(=O)C5CC5)C4)n[nH]c3=O)cc2)cc1
InChIKey
JLWUGZILAFMBOO-KRWDZBQOSA-N
Molecular formula
C24H23N5O2
Average molar mass
413.5 g/mol
Monoisotopic mass
413.18517499

Names & identifiers

Preferred name
4'-(3-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-4-biphenylcarbonitrile
IUPAC
4-[4-[3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]benzonitrile

Names & synonyms

SCHEMBL12426788JLWUGZILAFMBOO-KRWDZBQOSA-N4'-(3-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-4-biphenylcarbonitrile

Database identifiers

PubChem CID
53373554

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
88.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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