N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indazol-5-amine

• ChemBase ID: 684119
• Molecular Formular: C18H21N5
• Molecular Mass: 307.39284
• Monoisotopic Mass: 307.1796957
• SMILES: n1[nH]c2c(cc(NC3CCN(Cc4cnccc4)CC3)cc2)c1
• Canonical SMILES: c1ccc(cn1)CN1CCC(CC1)Nc1ccc2c(c1)cn[nH]2
• InChI: InChI=1S/C18H21N5/c1-2-14(11-19-7-1)13-23-8-5-16(6-9-23)21-17-3-4-18-15(10-17)12-20-22-18/h1-4,7,10-12,16,21H,5-6,8-9,13H2,(H,20,22)
• InChIKey: VTXPUBPWKKOJCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indazol-5-amine
• IUPAC Traditional name: N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indazol-5-amine
• Synonyms: N-[1-(3-pyridinylmethyl)-4-piperidinyl]-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.393108
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3016174
• LogD (pH = 7.4): 0.47302485
• Log P: 1.3026927
• Molar Refractivity: 94.1737 cm^3
• Polarizability: 36.353676 Å^3
• Polar Surface Area: 56.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.16
• LOG S: -0.98
• Polar Surface Area: 56.84 Å^2
• Rotatable Bonds: 4