9-(cyclopropylmethyl)-4-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 686518
• Molecular Formular: C22H31N5O
• Molecular Mass: 381.51444
• Monoisotopic Mass: 381.25286064
• SMILES: n1c(cn2c1cccc2)CN1CC2(N(CC1)C)CCN(C(=O)CC2)CC1CC1
• Canonical SMILES: O=C1CCC2(CCN1CC1CC1)CN(CCN2C)Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C22H31N5O/c1-24-12-13-25(15-19-16-26-10-3-2-4-20(26)23-19)17-22(24)8-7-21(28)27(11-9-22)14-18-5-6-18/h2-4,10,16,18H,5-9,11-15,17H2,1H3
• InChIKey: VLNVPLJDHGLLMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropylmethyl)-4-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-(cyclopropylmethyl)-4-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-(cyclopropylmethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4306679
• LogD (pH = 7.4): -0.37099957
• Log P: 0.9261523
• Molar Refractivity: 111.5598 cm^3
• Polarizability: 42.98238 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.31
• LOG S: -3.1
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 4