3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
Thuốc Gốc
Small Molecule
CTHH: C24H25N5O
PTK: 399.4882
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H25N5O
Phân tử khối
399.4882
Monoisotopic mass
399.205910447
InChI
InChI=1S/C24H25N5O/c1-16(19-8-4-3-5-9-19)27-24-14-22-21(15-26-24)17(2)28-29(22)20-10-6-7-18(13-20)11-12-23(25)30/h3-10,13-16H,11-12H2,1-2H3,(H2,25,30)(H,26,27)/t16-/m0/s1
InChI Key
InChIKey=ZFGCLYUGFRNYFE-INIZCTEOSA-N
IUPAC Name
3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
Traditional IUPAC Name
3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
SMILES
[H][C@@](C)(NC1=CC2=C(C=N1)C(C)=NN2C1=CC=CC(CCC(N)=O)=C1)C1=CC=CC=C1
Độ hòa tan
4.62e-03 g/l
logP
3.48
logS
-4.9
pKa (strongest acidic)
16
pKa (Strongest Basic)
8.17
PSA
85.83 Å2
Refractivity
120.45 m3·mol-1
Polarizability
45.2 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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