N,N,2-trimethyl-7-[(2R)-2-methylpyrrolidine-2-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 383087
• Molecular Formular: C16H25N5O2
• Molecular Mass: 319.402
• Monoisotopic Mass: 319.20082507
• SMILES: c1(n2c(nc1C)CN(C(=O)[C@@]1(NCCC1)C)CC2)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1c(C)nc2n1CCN(C2)C(=O)[C@@]1(C)CCCN1)C
• InChI: InChI=1S/C16H25N5O2/c1-11-13(14(22)19(3)4)21-9-8-20(10-12(21)18-11)15(23)16(2)6-5-7-17-16/h17H,5-10H2,1-4H3/t16-/m1/s1
• InChIKey: BYHXVTNDYJJYDR-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethyl-7-[(2R)-2-methylpyrrolidine-2-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: N,N,2-trimethyl-7-[(2R)-2-methylpyrrolidine-2-carbonyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: N,N,2-trimethyl-7-(2-methyl-D-prolyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.176427
• LogD (pH = 7.4): -3.3915865
• Log P: -0.9432816
• Molar Refractivity: 87.5561 cm^3
• Polarizability: 33.313606 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.15
• LOG S: -1.86
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 2