5-[4-(1H-pyrazol-1-ylmethyl)piperidine-1-carbonyl]-2-(pyrrolidin-1-yl)pyridine

• ChemBase ID: 550753
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: C(=O)(N1CCC(Cn2nccc2)CC1)c1cnc(N2CCCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)N1CCCC1)N1CCC(CC1)Cn1cccn1
• InChI: InChI=1S/C19H25N5O/c25-19(17-4-5-18(20-14-17)22-9-1-2-10-22)23-12-6-16(7-13-23)15-24-11-3-8-21-24/h3-5,8,11,14,16H,1-2,6-7,9-10,12-13,15H2
• InChIKey: QCUGZKHLDPXEDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(1H-pyrazol-1-ylmethyl)piperidine-1-carbonyl]-2-(pyrrolidin-1-yl)pyridine
• IUPAC Traditional name: 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-2-(pyrrolidin-1-yl)pyridine
• Synonyms: 5-{[4-(1H-pyrazol-1-ylmethyl)-1-piperidinyl]carbonyl}-2-(1-pyrrolidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7726287
• LogD (pH = 7.4): 1.8589795
• Log P: 1.8602079
• Molar Refractivity: 110.2984 cm^3
• Polarizability: 36.68661 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.6
• LOG S: -4.75
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 4