N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 714708
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c1(nn2c(c1)nccc2)C(=O)NCCCN1c2c(CCC1)cccc2
• Canonical SMILES: O=C(c1nn2c(c1)nccc2)NCCCN1CCCc2c1cccc2
• InChI: InChI=1S/C19H21N5O/c25-19(16-14-18-20-9-5-13-24(18)22-16)21-10-4-12-23-11-3-7-15-6-1-2-8-17(15)23/h1-2,5-6,8-9,13-14H,3-4,7,10-12H2,(H,21,25)
• InChIKey: YKVMGIFASCYLLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922691
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.276019
• LogD (pH = 7.4): 2.5621226
• Log P: 2.567321
• Molar Refractivity: 108.6703 cm^3
• Polarizability: 36.207497 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.77
• LOG S: -3.16
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5