2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
Thuốc Gốc
Small Molecule
CTHH: C25H20N4O
PTK: 392.4525
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
392.4525
Monoisotopic mass
392.163711282
InChI
InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
InChI Key
InChIKey=AZEXWHKOMMASPA-UHFFFAOYSA-N
IUPAC Name
2-{4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxymethyl}quinoline
Traditional IUPAC Name
2-{4-[1-methyl-4-(pyridin-4-yl)pyrazol-3-yl]phenoxymethyl}quinoline
SMILES
CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1
Độ hòa tan
1.49e-03 g/l
logP
4.67
logS
-5.4
pKa (Strongest Basic)
4.31
PSA
52.83 Å2
Refractivity
127.18 m3·mol-1
Polarizability
43.9 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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