2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
Thuốc Gốc
Small Molecule
CTHH: C18H20N8
PTK: 348.405
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
348.405
Monoisotopic mass
348.18109268
InChI
InChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23)
InChI Key
InChIKey=BIFHJPUTQBOBGJ-UHFFFAOYSA-N
IUPAC Name
2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
Traditional IUPAC Name
2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILES
CCN1CCN(CC1)C1=NC2=C(C=NN2C(NC2=CC=CC=C2)=N1)C#N
Độ hòa tan
1.59e-01 g/l
logP
2.94
logS
-3.3
pKa (strongest acidic)
15.46
pKa (Strongest Basic)
7.6
PSA
85.38 Å2
Refractivity
111.8 m3·mol-1
Polarizability
38.18 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
7
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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