7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C20H25N9O
PTK: 407.4722
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H25N9O
Phân tử khối
407.4722
Monoisotopic mass
407.218206467
InChI
InChI=1S/C20H25N9O/c1-20(2,3)18-26-16-13(11-12(15(22)30)14(21)25-16)17(27-18)28-7-9-29(10-8-28)19-23-5-4-6-24-19/h4-6,11H,7-10H2,1-3H3,(H2,22,30)(H2,21,25,26,27)
InChI Key
InChIKey=CKLCIJCZOIDJQU-UHFFFAOYSA-N
IUPAC Name
7-amino-2-tert-butyl-4-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
Traditional IUPAC Name
7-amino-2-tert-butyl-4-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILES
CC(C)(C)C1=NC(N2CCN(CC2)C2=NC=CC=N2)=C2C=C(C(N)=O)C(N)=NC2=N1
Độ hòa tan
1.05e-01 g/l
logP
3.45
logS
-3.6
pKa (strongest acidic)
13.64
pKa (Strongest Basic)
3.25
PSA
140.04 Å2
Refractivity
118.54 m3·mol-1
Polarizability
44.05 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
9
H Bond Donor Count
2
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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