5-(2-fluorophenyl)-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 697596
• Molecular Formular: C19H21FN4O
• Molecular Mass: 340.3946432
• Monoisotopic Mass: 340.16993953
• SMILES: c1(n2c(nc(c1)c1c(F)cccc1)ccn2)N[C@H]1[C@@H](COC)CCC1
• Canonical SMILES: COC[C@H]1CCC[C@H]1Nc1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C19H21FN4O/c1-25-12-13-5-4-8-16(13)22-19-11-17(14-6-2-3-7-15(14)20)23-18-9-10-21-24(18)19/h2-3,6-7,9-11,13,16,22H,4-5,8,12H2,1H3/t13-,16-/m1/s1
• InChIKey: MCPWZXAKQXNJFB-CZUORRHYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-[(1R*,2S*)-2-(methoxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -4.93
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 3.8

JChem

• Molar Refractivity: 105.6672 cm^3
• Polarizability: 36.980545 Å^3
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3584626
• LogD (pH = 7.4): 3.3584983
• Log P: 3.3584986