3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide

• ChemBase ID: 724146
• Molecular Formular: C18H25N5O
• Molecular Mass: 327.424
• Monoisotopic Mass: 327.20591045
• SMILES: n1[nH]c(c(c1CCC(=O)NCc1c2c(cnc1C)CNCC2)C)C
• Canonical SMILES: O=C(CCc1n[nH]c(c1C)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H25N5O/c1-11-12(2)22-23-17(11)4-5-18(24)21-10-16-13(3)20-9-14-8-19-7-6-15(14)16/h9,19H,4-8,10H2,1-3H3,(H,21,24)(H,22,23)
• InChIKey: SDNVSLOQGYWZLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
• IUPAC Traditional name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
• Synonyms: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.207258
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.4293025
• LogD (pH = 7.4): -0.8968291
• Log P: 0.59978706
• Molar Refractivity: 95.7448 cm^3
• Polarizability: 35.932587 Å^3
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.04
• LOG S: -1.63
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 5