1-(4-aminopiperidin-1-yl)-4-[3-(1-methoxypropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]butan-1-one

• ChemBase ID: 657889
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: n1(c(nc2c1nccc2)CCCC(=O)N1CCC(CC1)N)C(COC)C
• Canonical SMILES: COCC(n1c(CCCC(=O)N2CCC(CC2)N)nc2c1nccc2)C
• InChI: InChI=1S/C19H29N5O2/c1-14(13-26-2)24-17(22-16-5-4-10-21-19(16)24)6-3-7-18(25)23-11-8-15(20)9-12-23/h4-5,10,14-15H,3,6-9,11-13,20H2,1-2H3
• InChIKey: HEESUPKZKVUZAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminopiperidin-1-yl)-4-[3-(1-methoxypropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]butan-1-one
• IUPAC Traditional name: 1-(4-aminopiperidin-1-yl)-4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
• Synonyms: 1-{4-[3-(2-methoxy-1-methylethyl)-3H-imidazo[4,5-b]pyridin-2-yl]butanoyl}piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7713873
• LogD (pH = 7.4): -2.202243
• Log P: 0.24665266
• Molar Refractivity: 100.0556 cm^3
• Polarizability: 39.64866 Å^3
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.63
• LOG S: -2.61
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 7