N-[2-(dimethylamino)ethyl]-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 569906
• Molecular Formular: C21H29N5O
• Molecular Mass: 367.48786
• Monoisotopic Mass: 367.23721057
• SMILES: c1(nn2c(c1)CN(C1Cc3c(CC1)cccc3)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)C1CCc2c(C1)cccc2)C
• InChI: InChI=1S/C21H29N5O/c1-24(2)10-9-22-21(27)20-14-19-15-25(11-12-26(19)23-20)18-8-7-16-5-3-4-6-17(16)13-18/h3-6,14,18H,7-13,15H2,1-2H3,(H,22,27)
• InChIKey: XKMRZENBKKEBLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(dimethylamino)ethyl]-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.045847
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4243312
• LogD (pH = 7.4): 0.79045254
• Log P: 2.1271486
• Molar Refractivity: 119.9832 cm^3
• Polarizability: 41.186348 Å^3
• Polar Surface Area: 53.4 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: 0.84
• LOG S: -2.6
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 5