9-(3-(4-isobutyrylpiperazine-1-carbonyl)phenyl)-8-(pyridin-4-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one

HCID 136385261

Basic information

Standard SMILES
CC(C)C(=O)N1CCN(C(=O)c2cccc(C3c4n[nH]c(=O)c5cccc(c45)NC3c3ccncc3)c2)CC1
InChIKey
TZXHLGONNRQYGL-UHFFFAOYSA-N
Molecular formula
C30H30N6O3
Average molar mass
522.6 g/mol
Monoisotopic mass
522.23793884

Names & identifiers

Preferred name
9-(3-(4-isobutyrylpiperazine-1-carbonyl)phenyl)-8-(pyridin-4-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
IUPAC
12-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]-11-pyridin-4-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

Names & synonyms

SCHEMBL2315298TZXHLGONNRQYGL-UHFFFAOYSA-N9-(3-(4-isobutyrylpiperazine-1-carbonyl)phenyl)-8-(pyridin-4-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one

Database identifiers

PubChem CID
136385261

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
39

Related reactions

3 records

Compound notes

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