7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine
Thuốc Gốc
Small Molecule
CTHH: C17H15N5
PTK: 289.3345
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H15N5
Phân tử khối
289.3345
Monoisotopic mass
289.132745505
InChI
InChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21)
InChI Key
InChIKey=QFWNOFXQNCLFBC-UHFFFAOYSA-N
IUPAC Name
7-(2,5-dihydro-1H-pyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine
Traditional IUPAC Name
7-(2,5-dihydropyrrol-1-yl)-6-phenylpyrido[2,3-d]pyrimidin-2-amine
SMILES
NC1=NC2=C(C=N1)C=C(C1=CC=CC=C1)C(=N2)N1CC=CC1
Độ hòa tan
2.22e-01 g/l
logP
3.09
logS
-3.1
pKa (strongest acidic)
15.82
pKa (Strongest Basic)
4.48
PSA
67.93 Å2
Refractivity
91.09 m3·mol-1
Polarizability
31.41 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
1
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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