3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole
Thuốc Gốc
Small Molecule
CTHH: C18H16FN3
PTK: 293.3381
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
293.3381
Monoisotopic mass
293.132825732
InChI
InChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3
InChI Key
InChIKey=NBDZLUOYAAVYHF-UHFFFAOYSA-N
IUPAC Name
2-[3-(4-fluorophenyl)-4H,5H,6H-pyrrolo[1,2-b]pyrazol-2-yl]-6-methylpyridine
Traditional IUPAC Name
2-[3-(4-fluorophenyl)-4H,5H,6H-pyrrolo[1,2-b]pyrazol-2-yl]-6-methylpyridine
SMILES
CC1=NC(=CC=C1)C1=NN2CCCC2=C1C1=CC=C(F)C=C1
Độ hòa tan
8.69e-03 g/l
logP
3.77
logS
-4.5
pKa (Strongest Basic)
1.81
PSA
30.71 Å2
Refractivity
95.08 m3·mol-1
Polarizability
31.57 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
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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