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2-(Benzylamino)-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone

HCID 59490476
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(C(NCc1ccccc1)c1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1
InChIKey
SYXMFYLVXCHBOH-UHFFFAOYSA-N
Molecular formula
C24H23N5O
Average molar mass
397.5 g/mol
Monoisotopic mass
397.19026037

Names & identifiers

Preferred name
2-(Benzylamino)-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
IUPAC
2-(benzylamino)-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone

Names & synonyms

SCHEMBL2490206

Database identifiers

PubChem CID
59490476

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
73.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
574

Related reactions

1 records
New reaction record
HRID 1540653 reaction equation
HRID 1540653As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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