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1-{[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)-1H-imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl}cyclopentanol

HCID 58970693
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOCc1nc2c(N)nc3cc(-c4ccc(F)cc4)cnc3c2n1CC1(O)CCCC1
InChIKey
PBGYAZLHVMJHEV-UHFFFAOYSA-N
Molecular formula
C24H26FN5O2
Average molar mass
435.5 g/mol

Names & identifiers

Preferred name
1-{[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)-1H-imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl}cyclopentanol
IUPAC
1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol

Names & synonyms

SCHEMBL1490767PBGYAZLHVMJHEV-UHFFFAOYSA-N1-{[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)-1H-imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl}cyclopentanol

Database identifiers

PubChem CID
58970693

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
99.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
628

Related reactions

2 records
New reaction record
HRID 598038 reaction equation
HRID 598038As productuspto-grants-2011_03
HRID 1128699 reaction equation
HRID 1128699As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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