Tìm theo
(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE
Thuốc Gốc
Small Molecule
CTHH: C23H21N5O
PTK: 383.4457
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H21N5O
Phân tử khối
383.4457
Monoisotopic mass
383.174610319
InChI
InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,23H,8,14,24H2,(H,27,28)/t19-,23+/m0/s1
InChI Key
InChIKey=CAASENZOSQYNPX-WMZHIEFXSA-N
IUPAC Name
5-{5-[(2S)-3-[(7aR)-7aH-indol-3-yl]-2-aminopropoxy]pyridin-3-yl}-1H-indazole
Traditional IUPAC Name
5-{5-[(2S)-3-[(7aR)-7aH-indol-3-yl]-2-aminopropoxy]pyridin-3-yl}-1H-indazole
SMILES
[H][C@@](N)(COC1=CC(=CN=C1)C1=CC2=C(NN=C2)C=C1)CC1=C2C=CC=C[C@@]2([H])N=C1
Độ hòa tan
9.76e-03 g/l
logP
1.58
logS
-4.6
pKa (strongest acidic)
13.42
pKa (Strongest Basic)
9.5
PSA
89.18 Å2
Refractivity
116.37 m3·mol-1
Polarizability
41.77 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
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