N-{imidazo[1,2-a]pyridin-3-ylmethyl}-4-(5-methyl-1-propyl-1H-pyrazol-4-yl)pyrimidin-2-amine

• ChemBase ID: 782110
• Molecular Formular: C19H21N7
• Molecular Mass: 347.41694
• Monoisotopic Mass: 347.18584371
• SMILES: c1(c(n(nc1)CCC)C)c1nc(ncc1)NCc1n2c(nc1)cccc2
• Canonical SMILES: CCCn1ncc(c1C)c1ccnc(n1)NCc1cnc2n1cccc2
• InChI: InChI=1S/C19H21N7/c1-3-9-26-14(2)16(13-23-26)17-7-8-20-19(24-17)22-12-15-11-21-18-6-4-5-10-25(15)18/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,20,22,24)
• InChIKey: FZYVGAXCFDYIPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.952204
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5293086
• LogD (pH = 7.4): 2.1461325
• Log P: 2.1719048
• Molar Refractivity: 115.3205 cm^3
• Polarizability: 39.044277 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.46
• LOG S: -3.83
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6