Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyri
Thuốc Gốc
Small Molecule
CTHH: C25H30Cl2N6
PTK: 485.452
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C25H30Cl2N6
Phân tử khối
485.452
Monoisotopic mass
484.190900404
InChI
InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30)
InChI Key
InChIKey=XCTKFTOEAKJMII-UHFFFAOYSA-N
IUPAC Name
N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine
Traditional IUPAC Name
N-cyclopropyl-4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]pyrimidin-2-amine
SMILES
CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1
Độ hòa tan
8.10e-03 g/l
logP
5.46
logS
-4.8
pKa (strongest acidic)
15.07
pKa (Strongest Basic)
8.89
PSA
58.87 Å2
Refractivity
136.38 m3·mol-1
Polarizability
53.37 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
5
Bioavailability
1
MDDR-Like Rule
true
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