1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2
Thuốc Gốc
Small Molecule
CTHH: C23H26N6O2
PTK: 418.4915
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
418.4915
Monoisotopic mass
418.211724106
InChI
InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)/t18-/m0/s1
InChI Key
InChIKey=VCPXSBULBDYRLT-SFHVURJKSA-N
IUPAC Name
N-{4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
Traditional IUPAC Name
N-{4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
SMILES
[H][C@@](O)(COC1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C3C=CC=CN23)C=C1)CN(C)C
Độ hòa tan
3.30e-02 g/l
logP
2.27
logS
-4.1
pKa (strongest acidic)
13.54
pKa (Strongest Basic)
8.7
PSA
87.81 Å2
Refractivity
120.71 m3·mol-1
Polarizability
45.99 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
7
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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