5-ethyl-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 773264
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: n12c(nc(cc1NCc1ccc(C(=O)N3CCCCC3)cc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCc2ccc(cc2)C(=O)N2CCCCC2)n2c(n1)ccn2
• InChI: InChI=1S/C21H25N5O/c1-2-18-14-20(26-19(24-18)10-11-23-26)22-15-16-6-8-17(9-7-16)21(27)25-12-4-3-5-13-25/h6-11,14,22H,2-5,12-13,15H2,1H3
• InChIKey: NQEXAEYTOIKEMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-[4-(1-piperidinylcarbonyl)benzyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9197316
• LogD (pH = 7.4): 2.9197788
• Log P: 2.9197795
• Molar Refractivity: 118.0655 cm^3
• Polarizability: 39.86739 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.42
• LOG S: -3.92
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5