N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

• ChemBase ID: 537363
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: c1(c(n2c(nc1)ccn2)C)C(=O)NC1CN(C2Cc3c(C2)cccc3)CCC1
• Canonical SMILES: O=C(c1cnc2n(c1C)ncc2)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C22H25N5O/c1-15-20(13-23-21-8-9-24-27(15)21)22(28)25-18-7-4-10-26(14-18)19-11-16-5-2-3-6-17(16)12-19/h2-3,5-6,8-9,13,18-19H,4,7,10-12,14H2,1H3,(H,25,28)
• InChIKey: OGZDWXZRFUNKGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.805515
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.32476822
• LogD (pH = 7.4): 1.4316843
• Log P: 2.5238492
• Molar Refractivity: 120.4761 cm^3
• Polarizability: 41.22549 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.74
• LOG S: -4.28
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3