2-(morpholine-4-carbonyl)-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}pyridin-4-amine

• ChemBase ID: 695017
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: C(=O)(c1cc(NCC2(CC2)Cn2nccc2)ccn1)N1CCOCC1
• Canonical SMILES: O=C(c1nccc(c1)NCC1(CC1)Cn1cccn1)N1CCOCC1
• InChI: InChI=1S/C18H23N5O2/c24-17(22-8-10-25-11-9-22)16-12-15(2-6-19-16)20-13-18(3-4-18)14-23-7-1-5-21-23/h1-2,5-7,12H,3-4,8-11,13-14H2,(H,19,20)
• InChIKey: GMHLVWUFGHYMRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-carbonyl)-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}pyridin-4-amine
• IUPAC Traditional name: 2-(morpholine-4-carbonyl)-N-{[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl}pyridin-4-amine
• Synonyms: 2-(4-morpholinylcarbonyl)-N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}-4-pyridinamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 0.23
• LOG S: -3.2
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 106.4841 cm^3
• Polarizability: 35.562477 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.41865385
• LogD (pH = 7.4): 0.49018484
• Log P: 0.49118373