N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 766222
• Molecular Formular: C16H19N5O
• Molecular Mass: 297.35496
• Monoisotopic Mass: 297.15896025
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N[C@@H]1[C@H](c2c(C1)cccc2)N
• Canonical SMILES: O=C(c1cn2c(n1)CNCC2)N[C@H]1Cc2c([C@@H]1N)cccc2
• InChI: InChI=1S/C16H19N5O/c17-15-11-4-2-1-3-10(11)7-12(15)20-16(22)13-9-21-6-5-18-8-14(21)19-13/h1-4,9,12,15,18H,5-8,17H2,(H,20,22)/t12-,15-/m0/s1
• InChIKey: QTJWOKRVXGIIJR-WFASDCNBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.390457
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8419771
• LogD (pH = 7.4): -1.3095225
• Log P: 0.08552084
• Molar Refractivity: 83.331 cm^3
• Polarizability: 32.13466 Å^3
• Polar Surface Area: 84.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.35
• LOG S: -2.38
• Polar Surface Area: 84.97 Å^2
• Rotatable Bonds: 2