N-[(1-cyclopropanecarbonylpiperidin-4-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 429922
• Molecular Formular: C19H27N5O
• Molecular Mass: 341.45058
• Monoisotopic Mass: 341.22156051
• SMILES: n12c(nc(cc1NCC1CCN(C(=O)C3CC3)CC1)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCC2CCN(CC2)C(=O)C2CC2)n2c(n1)ccn2
• InChI: InChI=1S/C19H27N5O/c1-2-3-16-12-18(24-17(22-16)6-9-21-24)20-13-14-7-10-23(11-8-14)19(25)15-4-5-15/h6,9,12,14-15,20H,2-5,7-8,10-11,13H2,1H3
• InChIKey: MAFKCSUUQAPMQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopropanecarbonylpiperidin-4-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(1-cyclopropanecarbonylpiperidin-4-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-{[1-(cyclopropylcarbonyl)-4-piperidinyl]methyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.985565
• LogD (pH = 7.4): 1.9856132
• Log P: 1.9856138
• Molar Refractivity: 108.9796 cm^3
• Polarizability: 37.13861 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.71
• LOG S: -4.0
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6