N-[(1R,2S)-2-phenylcyclopropyl]-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 730787
• Molecular Formular: C20H17N5
• Molecular Mass: 327.38248
• Monoisotopic Mass: 327.14839557
• SMILES: c1(n2c(nc(c1)c1ccncc1)ccn2)N[C@H]1[C@@H](C1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[C@@H]1C[C@H]1Nc1cc(nc2n1ncc2)c1ccncc1
• InChI: InChI=1S/C20H17N5/c1-2-4-14(5-3-1)16-12-18(16)24-20-13-17(15-6-9-21-10-7-15)23-19-8-11-22-25(19)20/h1-11,13,16,18,24H,12H2/t16-,18+/m0/s1
• InChIKey: OHFYTBIFXDPTEF-FUHWJXTLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2S)-2-phenylcyclopropyl]-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(1R,2S)-2-phenylcyclopropyl]-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(1R*,2S*)-2-phenylcyclopropyl]-5-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -4.08

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.985502
• LogD (pH = 7.4): 2.994668
• Log P: 2.9947863
• Molar Refractivity: 107.6058 cm^3
• Polarizability: 37.924465 Å^3
• Polar Surface Area: 55.11 Å^2