5-{3-[4-(1-aminocyclobutyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl}-2-methylphenol

HCID 67503752
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Basic information

Standard SMILES
Cc1ccc(-c2nc3n(c2-c2ccc(C4(N)CCC4)cc2)-c2cccnc2Nc2ccccc2-3)cc1O
InChIKey
FHLIQXIPRWHVEX-UHFFFAOYSA-N
Molecular formula
C31H27N5O
Average molar mass
485.6 g/mol
Monoisotopic mass
485.2215605

Names & identifiers

Preferred name
5-{3-[4-(1-aminocyclobutyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl}-2-methylphenol
IUPAC
5-[3-[4-(1-aminocyclobutyl)phenyl]-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-4-yl]-2-methylphenol

Names & synonyms

SCHEMBL2699442FHLIQXIPRWHVEX-UHFFFAOYSA-N5-{3-[4-(1-aminocyclobutyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl}-2-methylphenol

Database identifiers

PubChem CID
67503752

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
89 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
37

Related reactions

1 records
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Compound notes

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