1,9-dimethyl-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 741642
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: c1(C(=O)N2CC3(N(CC2)C)CCN(C(=O)CC3)C)c2n(nc1)CCCC2
• Canonical SMILES: CN1CCC2(CCC1=O)CN(CCN2C)C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C19H29N5O2/c1-21-10-8-19(7-6-17(21)25)14-23(12-11-22(19)2)18(26)15-13-20-24-9-4-3-5-16(15)24/h13H,3-12,14H2,1-2H3
• InChIKey: INPJNSIDIDSFNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,9-dimethyl-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 1,9-dimethyl-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 1,9-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3172286
• LogD (pH = 7.4): -0.64795345
• Log P: -0.24462527
• Molar Refractivity: 112.0372 cm^3
• Polarizability: 38.014343 Å^3
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.14
• LOG S: -3.25
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 1