4-chloro-1-methyl-3-({4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}methyl)-1H-indazole

• ChemBase ID: 518639
• Molecular Formular: C19H24ClN5O
• Molecular Mass: 373.87976
• Monoisotopic Mass: 373.16693809
• SMILES: n1c(noc1C1CCN(Cc2nn(c3c2c(Cl)ccc3)C)CC1)C(C)C
• Canonical SMILES: CC(c1noc(n1)C1CCN(CC1)Cc1nn(c2c1c(Cl)ccc2)C)C
• InChI: InChI=1S/C19H24ClN5O/c1-12(2)18-21-19(26-23-18)13-7-9-25(10-8-13)11-15-17-14(20)5-4-6-16(17)24(3)22-15/h4-6,12-13H,7-11H2,1-3H3
• InChIKey: FDGXYAHFQZXADT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-methyl-3-({4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}methyl)-1H-indazole
• IUPAC Traditional name: 4-chloro-3-{[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}-1-methylindazole
• Synonyms: 4-chloro-3-{[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}-1-methyl-1H-indazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5878198
• LogD (pH = 7.4): 3.8892126
• Log P: 4.01062
• Molar Refractivity: 114.7932 cm^3
• Polarizability: 40.192635 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.98
• LOG S: -3.46
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 4