4-[1-benzyl-5-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine

• ChemBase ID: 500567
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCN(C2)C(C)C)C(=O)N1CCOCC1
• Canonical SMILES: CC(N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C21H28N4O2/c1-16(2)24-9-8-19-18(15-24)20(21(26)23-10-12-27-13-11-23)22-25(19)14-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
• InChIKey: PXORRJNBLARTRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-benzyl-5-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-{1-benzyl-5-isopropyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine
• Synonyms: 1-benzyl-5-isopropyl-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.023339204
• LogD (pH = 7.4): 1.6698145
• Log P: 2.0368893
• Molar Refractivity: 118.1559 cm^3
• Polarizability: 40.42641 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.68
• LOG S: -2.33
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 3