N-cyclopropyl-3-{1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}propanamide

• ChemBase ID: 684843
• Molecular Formular: C20H29N5O
• Molecular Mass: 355.47716
• Monoisotopic Mass: 355.23721057
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)N1CCC(CC1)CCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCN(CC1)c1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C20H29N5O/c1-14(2)17-13-20(25-18(23-17)7-10-21-25)24-11-8-15(9-12-24)3-6-19(26)22-16-4-5-16/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,22,26)
• InChIKey: GBRLSVIGHIOZKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-(1-{5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)propanamide
• Synonyms: N-cyclopropyl-3-[1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.542329
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8137329
• LogD (pH = 7.4): 2.813778
• Log P: 2.8137786
• Molar Refractivity: 112.7365 cm^3
• Polarizability: 38.97729 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.97
• LOG S: -3.47
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6