N-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 384519
• Molecular Formular: C20H24N6OS
• Molecular Mass: 396.50916
• Monoisotopic Mass: 396.17323042
• SMILES: n1(c2c(cn1)C(NCc1sc(nc1)N1CCOCC1)CCC2)c1ncccc1
• Canonical SMILES: O1CCN(CC1)c1ncc(s1)CNC1CCCc2c1cnn2c1ccccn1
• InChI: InChI=1S/C20H24N6OS/c1-2-7-21-19(6-1)26-18-5-3-4-17(16(18)14-24-26)22-12-15-13-23-20(28-15)25-8-10-27-11-9-25/h1-2,6-7,13-14,17,22H,3-5,8-12H2
• InChIKey: WDDWSMXJRFNRJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-{[2-(4-morpholinyl)-1,3-thiazol-5-yl]methyl}-1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.47104272
• LogD (pH = 7.4): 2.1985888
• Log P: 2.8365836
• Molar Refractivity: 110.6191 cm^3
• Polarizability: 41.60781 Å^3
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.77
• LOG S: -4.24
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 5