(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one
Thuốc Gốc
Small Molecule
CTHH: C19H17ClFN3O3
PTK: 389.808
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H17ClFN3O3
Phân tử khối
389.808
Monoisotopic mass
389.094247337
InChI
InChI=1S/C19H17ClFN3O3/c20-16-14-7-8-15(18(25)23-9-1-2-10-23)24(14)19(26)17(22-16)27-11-12-3-5-13(21)6-4-12/h3-8,15H,1-2,9-11H2/t15-/m0/s1
InChI Key
InChIKey=HPAFVLDARQIHPU-HNNXBMFYSA-N
IUPAC Name
(6S)-1-chloro-3-[(4-fluorophenyl)methoxy]-6-[(pyrrolidin-1-yl)carbonyl]-4H,6H-pyrrolo[1,2-a]pyrazin-4-one
Traditional IUPAC Name
(6S)-1-chloro-3-[(4-fluorophenyl)methoxy]-6-[(pyrrolidin-1-yl)carbonyl]-6H-pyrrolo[1,2-a]pyrazin-4-one
SMILES
[H][C@]1(C=CC2=C(Cl)N=C(OCC3=CC=C(F)C=C3)C(=O)N12)C(=O)N1CCCC1
Độ hòa tan
2.89e-02 g/l
logP
2.39
logS
-4.1
pKa (strongest acidic)
14.85
pKa (Strongest Basic)
-4.3
PSA
62.21 Å2
Refractivity
109.54 m3·mol-1
Polarizability
37.22 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
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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