4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPE
Thuốc Gốc
Small Molecule
CTHH: C22H19ClN6O3S
PTK: 482.943
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H19ClN6O3S
Phân tử khối
482.943
Monoisotopic mass
482.092786901
InChI
InChI=1S/C22H19ClN6O3S/c23-18-1-2-19-16(11-18)12-20(27-19)33(31,32)29-9-7-28(8-10-29)22(30)21-25-13-17(14-26-21)15-3-5-24-6-4-15/h1-6,11-14,27H,7-10H2
InChI Key
InChIKey=NSAQIPHWHHJZTN-UHFFFAOYSA-N
IUPAC Name
5-chloro-2-(4-{[5-(pyridin-4-yl)pyrimidin-2-yl]carbonyl}piperazine-1-sulfonyl)-1H-indole
Traditional IUPAC Name
5-chloro-2-(4-{[5-(pyridin-4-yl)pyrimidin-2-yl]carbonyl}piperazine-1-sulfonyl)-1H-indole
SMILES
ClC1=CC2=C(NC(=C2)S(=O)(=O)N2CCN(CC2)C(=O)C2=NC=C(C=N2)C2=CC=NC=C2)C=C1
Độ hòa tan
7.35e-02 g/l
logP
1.83
logS
-3.8
pKa (strongest acidic)
9.63
pKa (Strongest Basic)
4.34
PSA
112.15 Å2
Refractivity
123.45 m3·mol-1
Polarizability
48.71 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
6
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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