2-{2-[1-(methoxymethyl)cyclobutanecarbonyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-yl}pyridine

• ChemBase ID: 457702
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N1(C(=O)C2(COC)CCC2)C(c2n(ccc2)CC1)c1ncccc1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCn2c(C1c1ccccn1)ccc2
• InChI: InChI=1S/C19H23N3O2/c1-24-14-19(8-5-9-19)18(23)22-13-12-21-11-4-7-16(21)17(22)15-6-2-3-10-20-15/h2-4,6-7,10-11,17H,5,8-9,12-14H2,1H3
• InChIKey: IPFNDHXZXJCPGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(methoxymethyl)cyclobutanecarbonyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-yl}pyridine
• IUPAC Traditional name: 2-{2-[1-(methoxymethyl)cyclobutanecarbonyl]-1H,3H,4H-pyrrolo[1,2-a]pyrazin-1-yl}pyridine
• Synonyms: 2-{[1-(methoxymethyl)cyclobutyl]carbonyl}-1-pyridin-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1310544
• LogD (pH = 7.4): 2.1364672
• Log P: 2.1365366
• Molar Refractivity: 91.1418 cm^3
• Polarizability: 35.58108 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.26
• LOG S: -1.35
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 4