2-methyl-5-propyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}pyrimidin-4-amine

• ChemBase ID: 781739
• Molecular Formular: C16H19N5
• Molecular Mass: 281.35556
• Monoisotopic Mass: 281.16404563
• SMILES: n12c(c(cn1)CNc1nc(ncc1CCC)C)cccc2
• Canonical SMILES: CCCc1cnc(nc1NCc1cnn2c1cccc2)C
• InChI: InChI=1S/C16H19N5/c1-3-6-13-9-17-12(2)20-16(13)18-10-14-11-19-21-8-5-4-7-15(14)21/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,17,18,20)
• InChIKey: WGFKSVJROKZHGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-propyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}pyrimidin-4-amine
• IUPAC Traditional name: 2-methyl-5-propyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}pyrimidin-4-amine
• Synonyms: 2-methyl-5-propyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.403435
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7390895
• LogD (pH = 7.4): 3.4319856
• Log P: 3.4552405
• Molar Refractivity: 96.6297 cm^3
• Polarizability: 31.944609 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.34
• LOG S: -4.11
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5