6-[(diethylamino)methyl]-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 685707
• Molecular Formular: C18H28N6O2
• Molecular Mass: 360.45392
• Monoisotopic Mass: 360.22737417
• SMILES: c12c(cnn1cc(cn2)CN(CC)CC)C(=O)NCCN1CCOCC1
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NCCN1CCOCC1)CC
• InChI: InChI=1S/C18H28N6O2/c1-3-22(4-2)13-15-11-20-17-16(12-21-24(17)14-15)18(25)19-5-6-23-7-9-26-10-8-23/h11-12,14H,3-10,13H2,1-2H3,(H,19,25)
• InChIKey: NXLOYIRTJXRVEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(diethylamino)methyl]-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-[(diethylamino)methyl]-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-[(diethylamino)methyl]-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.774122
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.2399
• LogD (pH = 7.4): -0.89779013
• Log P: 0.18244573
• Molar Refractivity: 112.8822 cm^3
• Polarizability: 38.514046 Å^3
• Polar Surface Area: 75.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.14
• LOG S: -3.26
• Polar Surface Area: 75.0 Å^2
• Rotatable Bonds: 8