N-[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-(oxolan-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 554320
• Molecular Formular: C20H31N5O
• Molecular Mass: 357.49304
• Monoisotopic Mass: 357.25286064
• SMILES: n12c(nc(cc1NC1CCN(CC3OCCC3)CC1)C(C)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2NC1CCN(CC1)CC1CCCO1)C(C)C
• InChI: InChI=1S/C20H31N5O/c1-14(2)18-12-20(25-19(22-18)11-15(3)23-25)21-16-6-8-24(9-7-16)13-17-5-4-10-26-17/h11-12,14,16-17,21H,4-10,13H2,1-3H3
• InChIKey: JNEZQOMZXNWCBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-(oxolan-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-{5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(oxolan-2-ylmethyl)piperidin-4-amine
• Synonyms: 5-isopropyl-2-methyl-N-[1-(tetrahydro-2-furanylmethyl)-4-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.85424787
• LogD (pH = 7.4): 0.85337245
• Log P: 2.1666994
• Molar Refractivity: 115.3109 cm^3
• Polarizability: 39.905186 Å^3
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -3.23
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 5