Tìm theo
2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
Thuốc Gốc
Small Molecule
CTHH: C22H16F2N4O3
PTK: 422.3842
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
422.3842
Monoisotopic mass
422.119046808
InChI
InChI=1S/C22H16F2N4O3/c23-14-3-1-13(2-4-14)11-20(29)28-22(30)27-15-5-6-19(17(24)12-15)31-18-8-10-26-21-16(18)7-9-25-21/h1-10,12H,11H2,(H,25,26)(H2,27,28,29,30)
InChI Key
InChIKey=BMPOCDJEXAXXEZ-UHFFFAOYSA-N
IUPAC Name
1-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-3-[2-(4-fluorophenyl)acetyl]urea
Traditional IUPAC Name
1-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-3-[2-(4-fluorophenyl)acetyl]urea
SMILES
FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1
Độ hòa tan
2.10e-03 g/l
logP
3.73
logS
-5.3
pKa (strongest acidic)
10.63
pKa (Strongest Basic)
5.02
PSA
96.11 Å2
Refractivity
109.44 m3·mol-1
Polarizability
39.9 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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