N,1-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 854050
• Molecular Formular: C19H27N5OS
• Molecular Mass: 373.51558
• Monoisotopic Mass: 373.19363151
• SMILES: c1(c2c(n(n1)C)CCC(C2)N(Cc1nc(cs1)C)C)C(=O)N1CCCC1
• Canonical SMILES: CN(C1CCc2c(C1)c(nn2C)C(=O)N1CCCC1)Cc1scc(n1)C
• InChI: InChI=1S/C19H27N5OS/c1-13-12-26-17(20-13)11-22(2)14-6-7-16-15(10-14)18(21-23(16)3)19(25)24-8-4-5-9-24/h12,14H,4-11H2,1-3H3
• InChIKey: MANJBDSMBZDGJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N,1-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N,1-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-pyrrolidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.46274692
• LogD (pH = 7.4): 1.2090896
• Log P: 1.6169245
• Molar Refractivity: 115.6517 cm^3
• Polarizability: 39.218365 Å^3
• Polar Surface Area: 54.26 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: 1.08
• LOG S: -3.74
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 4