4-((5,6-Diphenyl-Pyrazin-2-yl)(isopropyl)amino)butan-1-ol

C₂₃H₂₇N₃OCAS 475086-75-0361.49 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₂₃H₂₇N₃O
Molar mass: 361.49 g/mol
Exact mass: 361.2154 Da
logP: 4.80Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 8

Hazards

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

Identifiers

CAS number

475086-75-0

SMILES

CC(C)N(CCCCO)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChIKey

PKBSUZWFQXNCSI-UHFFFAOYSA-N

InChI

InChI=1S/C23H27N3O/c1-18(2)26(15-9-10-16-27)21-17-24-22(19-11-5-3-6-12-19)23(25-21)20-13-7-4-8-14-20/h3-8,11-14,17-18,27H,9-10,15-16H2,1-2H3

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Names and synonyms

1 names

Selexipag intermediate

Work with 4-((5,6-Diphenyl-Pyrazin-2-yl)(isopropyl)amino)butan-1-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-((5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino)butoxy)acetic acid475085-57-563 % similar 2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)acetamide475086-01-255 % similar 5-Bromo-2,3-diphenylpyrazine243472-70-036 % similar 5-Chloro-2,3-diphenylpyrazine41270-66-036 % similar 8-Phenyl-1-octanol10472-97-634 % similar 5-Phenyl-1-pentanol10521-91-234 % similar 6-Phenyl-1-hexanol2430-16-234 % similar Benzenebutanol3360-41-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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