N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-3-(trimethyl-1H-pyrazol-4-yl)propanamide

• ChemBase ID: 497997
• Molecular Formular: C17H21N5O
• Molecular Mass: 311.38154
• Monoisotopic Mass: 311.17461032
• SMILES: n1n(c(c(c1C)CCC(=O)NCc1c2n(nc1)cccc2)C)C
• Canonical SMILES: O=C(NCc1cnn2c1cccc2)CCc1c(C)nn(c1C)C
• InChI: InChI=1S/C17H21N5O/c1-12-15(13(2)21(3)20-12)7-8-17(23)18-10-14-11-19-22-9-5-4-6-16(14)22/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,23)
• InChIKey: DZZPCUWJMZFLJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-3-(trimethyl-1H-pyrazol-4-yl)propanamide
• IUPAC Traditional name: N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-3-(trimethylpyrazol-4-yl)propanamide
• Synonyms: N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.224167
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4829209
• LogD (pH = 7.4): 1.4854655
• Log P: 1.4854981
• Molar Refractivity: 111.8626 cm^3
• Polarizability: 34.203735 Å^3
• Polar Surface Area: 64.22 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 1.19
• LOG S: -2.49
• Polar Surface Area: 64.22 Å^2