1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

• ChemBase ID: 519622
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)N1CCC(CC1)(CN1CCCC1)O
• Canonical SMILES: CC(c1cc(N2CCC(CC2)(O)CN2CCCC2)n2c(n1)ccn2)C
• InChI: InChI=1S/C19H29N5O/c1-15(2)16-13-18(24-17(21-16)5-8-20-24)23-11-6-19(25,7-12-23)14-22-9-3-4-10-22/h5,8,13,15,25H,3-4,6-7,9-12,14H2,1-2H3
• InChIKey: YDTSDRRJJGMNAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
• IUPAC Traditional name: 1-{5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
• Synonyms: 1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.328907
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.5696115
• LogD (pH = 7.4): -0.66962796
• Log P: 1.8914701
• Molar Refractivity: 110.4224 cm^3
• Polarizability: 38.071117 Å^3
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.38
• LOG S: -2.73
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 4