4-[5-(naphthalene-2-carbonyl)-1-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine

• ChemBase ID: 402135
• Molecular Formular: C28H27N5O3
• Molecular Mass: 481.54568
• Monoisotopic Mass: 481.21138975
• SMILES: c1(c2c(n(n1)Cc1ncccc1)CCN(C2)C(=O)c1cc2c(cc1)cccc2)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)N1CCc2c(C1)c(nn2Cc1ccccn1)C(=O)N1CCOCC1
• InChI: InChI=1S/C28H27N5O3/c34-27(22-9-8-20-5-1-2-6-21(20)17-22)32-12-10-25-24(19-32)26(28(35)31-13-15-36-16-14-31)30-33(25)18-23-7-3-4-11-29-23/h1-9,11,17H,10,12-16,18-19H2
• InChIKey: YEWXMSWRMMDPPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(naphthalene-2-carbonyl)-1-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[5-(naphthalene-2-carbonyl)-1-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• Synonyms: 3-(4-morpholinylcarbonyl)-5-(2-naphthoyl)-1-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1439784
• LogD (pH = 7.4): 2.1971264
• Log P: 2.1978512
• Molar Refractivity: 147.7013 cm^3
• Polarizability: 52.48224 Å^3
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.55
• LOG S: -4.91
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 4