N-[(5-methoxy-1H-indol-2-yl)methyl]-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 673735
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(nn2c(c1)CN(CC2)C(C)C)C(=O)NCc1[nH]c2c(c1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)cc([nH]2)CNC(=O)c1nn2c(c1)CN(CC2)C(C)C
• InChI: InChI=1S/C20H25N5O2/c1-13(2)24-6-7-25-16(12-24)10-19(23-25)20(26)21-11-15-8-14-9-17(27-3)4-5-18(14)22-15/h4-5,8-10,13,22H,6-7,11-12H2,1-3H3,(H,21,26)
• InChIKey: PALVMDFICGOKLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methoxy-1H-indol-2-yl)methyl]-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-[(5-methoxy-1H-indol-2-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-isopropyl-N-[(5-methoxy-1H-indol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1082
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0113283
• LogD (pH = 7.4): 1.873738
• Log P: 1.9100934
• Molar Refractivity: 116.2229 cm^3
• Polarizability: 40.891903 Å^3
• Polar Surface Area: 75.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.38
• LOG S: -3.91
• Polar Surface Area: 75.18 Å^2
• Rotatable Bonds: 5