N-[(2R,3R)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 464505
• Molecular Formular: C21H23N5O2
• Molecular Mass: 377.43962
• Monoisotopic Mass: 377.185175
• SMILES: c12c(C(=O)N[C@H]3[C@@H](C4(c5c3cccc5)CCNCC4)O)cnn1cc(cn2)C
• Canonical SMILES: Cc1cnc2n(c1)ncc2C(=O)N[C@@H]1c2ccccc2C2([C@H]1O)CCNCC2
• InChI: InChI=1S/C21H23N5O2/c1-13-10-23-19-15(11-24-26(19)12-13)20(28)25-17-14-4-2-3-5-16(14)21(18(17)27)6-8-22-9-7-21/h2-5,10-12,17-18,22,27H,6-9H2,1H3,(H,25,28)/t17-,18+/m1/s1
• InChIKey: CNSLVQBBUUQTPC-MSOLQXFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,3R)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[(2R,3R)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[(2R*,3R*)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.644071
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -2.160006
• LogD (pH = 7.4): -1.2255635
• Log P: 1.0375335
• Molar Refractivity: 116.4447 cm^3
• Polarizability: 40.1667 Å^3
• Polar Surface Area: 91.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.66
• LOG S: -3.37
• Polar Surface Area: 91.55 Å^2
• Rotatable Bonds: 2