3-chloro-6-methyl-N-{[1-(morpholin-4-ylmethyl)cyclopropyl]methyl}pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 517103
• Molecular Formular: C17H22ClN5O2
• Molecular Mass: 363.84188
• Monoisotopic Mass: 363.14620265
• SMILES: c12n(nc(c1Cl)C(=O)NCC1(CC1)CN1CCOCC1)cc(cn2)C
• Canonical SMILES: O=C(c1nn2c(c1Cl)ncc(c2)C)NCC1(CC1)CN1CCOCC1
• InChI: InChI=1S/C17H22ClN5O2/c1-12-8-19-15-13(18)14(21-23(15)9-12)16(24)20-10-17(2-3-17)11-22-4-6-25-7-5-22/h8-9H,2-7,10-11H2,1H3,(H,20,24)
• InChIKey: QFDJUICSAHIHTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-methyl-N-{[1-(morpholin-4-ylmethyl)cyclopropyl]methyl}pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: 3-chloro-6-methyl-N-{[1-(morpholin-4-ylmethyl)cyclopropyl]methyl}pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: 3-chloro-6-methyl-N-{[1-(morpholin-4-ylmethyl)cyclopropyl]methyl}pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.185291
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.22028172
• LogD (pH = 7.4): 1.4878889
• Log P: 1.5986584
• Molar Refractivity: 106.1388 cm^3
• Polarizability: 36.330593 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.64
• LOG S: -2.62
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 5