5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

HCID 53373552
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccn4ccnc4c3)cc2)C1
InChIKey
UXXHCYHZLYFJJZ-INIZCTEOSA-N
Molecular formula
C24H24N6O2
Average molar mass
428.5 g/mol
Monoisotopic mass
428.19607403

Names & identifiers

Preferred name
5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
IUPAC
3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-1H-1,2,4-triazol-5-one

Names & synonyms

SCHEMBL14151699UXXHCYHZLYFJJZ-INIZCTEOSA-N5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Database identifiers

PubChem CID
53373552

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
82.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

Loading…