5-[(1R,2S)-2-propylcyclopropanecarbonyl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 727426
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(nn2c(c1)CN(C(=O)[C@@H]1C[C@@H]1CCC)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: CCC[C@H]1C[C@H]1C(=O)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C20H25N5O2/c1-2-5-14-10-17(14)20(27)24-8-9-25-16(13-24)11-18(23-25)19(26)22-12-15-6-3-4-7-21-15/h3-4,6-7,11,14,17H,2,5,8-10,12-13H2,1H3,(H,22,26)/t14-,17+/m0/s1
• InChIKey: FVIOTWOBQDROFI-WMLDXEAASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(1R,2S)-2-propylcyclopropanecarbonyl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-[(1R,2S)-2-propylcyclopropanecarbonyl]-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-{[(1R*,2S*)-2-propylcyclopropyl]carbonyl}-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901251
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3042952
• LogD (pH = 7.4): 1.3220336
• Log P: 1.322265
• Molar Refractivity: 112.3702 cm^3
• Polarizability: 38.695824 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.22
• LOG S: -2.08
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 6