N-{[4-(cyclopentyloxy)phenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 380468
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: n1(c2c(cn1)C(NCc1ccc(OC3CCCC3)cc1)CCC2)c1ncccc1
• Canonical SMILES: C1CCC(C1)Oc1ccc(cc1)CNC1CCCc2c1cnn2c1ccccn1
• InChI: InChI=1S/C24H28N4O/c1-2-7-19(6-1)29-20-13-11-18(12-14-20)16-26-22-8-5-9-23-21(22)17-27-28(23)24-10-3-4-15-25-24/h3-4,10-15,17,19,22,26H,1-2,5-9,16H2
• InChIKey: WWSLEDBOASIQAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclopentyloxy)phenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-{[4-(cyclopentyloxy)phenyl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-[4-(cyclopentyloxy)benzyl]-1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -5.49
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 1
• Log P: 4.17

JChem

• Molar Refractivity: 115.5266 cm^3
• Polarizability: 44.519356 Å^3
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7744504
• LogD (pH = 7.4): 3.3971713
• Log P: 4.6685886