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C26H23N5OCAS 867160-71-2421.50 g/mol

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HONNNHHNN
Alcohol

Properties

Molecular formula
C26H23N5O
Molar mass
421.50 g/mol
Exact mass
421.1903 Da
logP
4.65Crippen estimate
Polar surface area
90.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3
Stereocentres
s, sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
867160-71-2
SMILES
C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(=N)[nH]ccn32)C1
InChIKey
PKCDDUHJAFVJJB-VLZXCDOPSA-N
InChI
InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C26H24N5O 422.1975
[M + Na]+
[M + Na]+ Calcd for C26H23N5NaO 444.1795
[M − H]−
[M − H]− Calcd for C26H22N5O 420.1830
Elemental analysis
Anal. Calcd for C26H23N5O: C, 74.09; H, 5.50; N, 16.62.

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Names and synonyms

4 names
  • Cyclobutanol, 3-[8-amino-1-(2-phenyl-7-quinolinyl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-, cis-
  • cis-3-[8-Amino-1-(2-phenyl-7-quinolinyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutanol
  • OSI 906
  • OSI 906AA

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Similar compounds

2-Phenylquinoline612-96-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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