methyl({[1-(piperidin-1-yl)cyclohexyl]methyl}){4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine

• ChemBase ID: 610234
• Molecular Formular: C20H35N5
• Molecular Mass: 345.5254
• Monoisotopic Mass: 345.28924615
• SMILES: n1n2c(cc1CN(CC1(N3CCCCC3)CCCCC1)C)CNCC2
• Canonical SMILES: CN(CC1(CCCCC1)N1CCCCC1)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C20H35N5/c1-23(16-18-14-19-15-21-10-13-25(19)22-18)17-20(8-4-2-5-9-20)24-11-6-3-7-12-24/h14,21H,2-13,15-17H2,1H3
• InChIKey: LZYMHNCCLVTBTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[1-(piperidin-1-yl)cyclohexyl]methyl}){4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine
• IUPAC Traditional name: methyl({[1-(piperidin-1-yl)cyclohexyl]methyl}){4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine
• Synonyms: N-methyl-1-[1-(1-piperidinyl)cyclohexyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.279337
• LogD (pH = 7.4): -0.95055836
• Log P: 2.3228495
• Molar Refractivity: 115.2033 cm^3
• Polarizability: 40.76295 Å^3
• Polar Surface Area: 36.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.24
• LOG S: -2.62
• Polar Surface Area: 36.33 Å^2
• Rotatable Bonds: 5