Tìm theo
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Thuốc Gốc
Small Molecule
CTHH: C18H14BrN5
PTK: 380.241
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
380.241
Monoisotopic mass
379.04325812
InChI
InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14/h1-10,12,21H,11H2
InChI Key
InChIKey=SMIZFGZXFDGISG-UHFFFAOYSA-N
IUPAC Name
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Traditional IUPAC Name
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILES
BrC1=C2N=C(C=C(NCC3=CC=CN=C3)N2N=C1)C1=CC=CC=C1
Độ hòa tan
7.87e-03 g/l
logP
3.52
logS
-4.7
pKa (Strongest Basic)
4.82
PSA
55.11 Å2
Refractivity
108.06 m3·mol-1
Polarizability
36.65 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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