N-[2-(dimethylamino)ethyl]-5-(2-methyloxane-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 565084
• Molecular Formular: C18H29N5O3
• Molecular Mass: 363.45456
• Monoisotopic Mass: 363.22703981
• SMILES: c1(nn2c(c1)CN(C(=O)C1(OCCCC1)C)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)C(=O)C1(C)CCCCO1)C
• InChI: InChI=1S/C18H29N5O3/c1-18(6-4-5-11-26-18)17(25)22-9-10-23-14(13-22)12-15(20-23)16(24)19-7-8-21(2)3/h12H,4-11,13H2,1-3H3,(H,19,24)
• InChIKey: OUXVZFSZZOGWCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-5-(2-methyloxane-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-5-(2-methyloxane-2-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(dimethylamino)ethyl]-5-[(2-methyltetrahydro-2H-pyran-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.04443
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7700996
• LogD (pH = 7.4): -1.021516
• Log P: 0.11765113
• Molar Refractivity: 110.36 cm^3
• Polarizability: 37.773476 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.46
• LOG S: -2.24
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5