4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol

C226H150F3N41O19S2 — CID 159599924

IUPAC4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCOc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cn1.Cc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.O=S=O.Oc1ccc(-c2cnc3cnc(-c4cccc(O)c4)nc3c2)cc1.Oc1ccc(-c2cnc3cnc(-c4ccccc4O)nc3c2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(C(F)(F)F)cc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(S)cc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4cccnc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccco4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccncc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccoc4)cc3n2)cc1.[C-]#[N+]c1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.[C-]#[N+]c1cccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c1
InChIInChI=1S/C20H12F3N3O.2C20H12N4O.C20H15N3O.C19H14N4O2.2C19H13N3O2.C19H13N3OS.2C18H12N4O.2C17H11N3O2.O2S/c21-20(22,23)15-5-1-12(2-6-15)14-9-17-18(24-10-14)11-25-19(26-17)13-3-7-16(27)8-4-13;1-21-16-6-2-13(3-7-16)15-10-18-19(22-11-15)12-23-20(24-18)14-4-8-17(25)9-5-14;1-21-16-4-2-3-14(9-16)15-10-18-19(22-11-15)12-23-20(24-18)13-5-7-17(25)8-6-13;1-13-2-4-14(5-3-13)16-10-18-19(21-11-16)12-22-20(23-18)15-6-8-17(24)9-7-15;1-25-18-7-4-13(9-21-18)14-8-16-17(20-10-14)11-22-19(23-16)12-2-5-15(24)6-3-12;23-15-6-4-12(5-7-15)14-9-17-18(20-10-14)11-21-19(22-17)13-2-1-3-16(24)8-13;23-14-7-5-12(6-8-14)13-9-16-17(20-10-13)11-21-19(22-16)15-3-1-2-4-18(15)24;23-15-5-1-13(2-6-15)19-21-11-18-17(22-19)9-14(10-20-18)12-3-7-16(24)8-4-12;23-15-3-1-13(2-4-15)18-21-11-17-16(22-18)9-14(10-20-17)12-5-7-19-8-6-12;23-15-5-3-12(4-6-15)18-21-11-17-16(22-18)8-14(10-20-17)13-2-1-7-19-9-13;21-14-3-1-11(2-4-14)17-19-9-16-15(20-17)7-13(8-18-16)12-5-6-22-10-12;21-13-5-3-11(4-6-13)17-19-10-15-14(20-17)8-12(9-18-15)16-2-1-7-22-16;1-3-2/h1-11,27H;2*2-12,25H;2-12,24H,1H3;2-11,24H,1H3;3*1-11,23-24H;2*1-11,23H;2*1-10,21H;
InChIKeyMLINRXOIYHTIFL-UHFFFAOYSA-N
MW3865.08 g/mol
LogP47.61
Rot. Bonds25

About 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol

4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 159599924) has the molecular formula C226H150F3N41O19S2 and a molecular weight of 3865.08 g/mol. Its IUPAC name is 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID159599924
Molecular FormulaC226H150F3N41O19S2
Molecular Weight3865.08 g/mol
Exact Mass3862.14
IUPAC Name4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCOc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cn1.Cc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.O=S=O.Oc1ccc(-c2cnc3cnc(-c4cccc(O)c4)nc3c2)cc1.Oc1ccc(-c2cnc3cnc(-c4ccccc4O)nc3c2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(C(F)(F)F)cc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(S)cc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4cccnc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccco4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccncc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccoc4)cc3n2)cc1.[C-]#[N+]c1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.[C-]#[N+]c1cccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c1
InChIInChI=1S/C20H12F3N3O.2C20H12N4O.C20H15N3O.C19H14N4O2.2C19H13N3O2.C19H13N3OS.2C18H12N4O.2C17H11N3O2.O2S/c21-20(22,23)15-5-1-12(2-6-15)14-9-17-18(24-10-14)11-25-19(26-17)13-3-7-16(27)8-4-13;1-21-16-6-2-13(3-7-16)15-10-18-19(22-11-15)12-23-20(24-18)14-4-8-17(25)9-5-14;1-21-16-4-2-3-14(9-16)15-10-18-19(22-11-15)12-23-20(24-18)13-5-7-17(25)8-6-13;1-13-2-4-14(5-3-13)16-10-18-19(21-11-16)12-22-20(23-18)15-6-8-17(24)9-7-15;1-25-18-7-4-13(9-21-18)14-8-16-17(20-10-14)11-22-19(23-16)12-2-5-15(24)6-3-12;23-15-6-4-12(5-7-15)14-9-17-18(20-10-14)11-21-19(22-17)13-2-1-3-16(24)8-13;23-14-7-5-12(6-8-14)13-9-16-17(20-10-13)11-21-19(22-16)15-3-1-2-4-18(15)24;23-15-5-1-13(2-6-15)19-21-11-18-17(22-19)9-14(10-20-18)12-3-7-16(24)8-4-12;23-15-3-1-13(2-4-15)18-21-11-17-16(22-18)9-14(10-20-17)12-5-7-19-8-6-12;23-15-5-3-12(4-6-15)18-21-11-17-16(22-18)8-14(10-20-17)13-2-1-7-19-9-13;21-14-3-1-11(2-4-14)17-19-9-16-15(20-17)7-13(8-18-16)12-5-6-22-10-12;21-13-5-3-11(4-6-13)17-19-10-15-14(20-17)8-12(9-18-15)16-2-1-7-22-16;1-3-2/h1-11,27H;2*2-12,25H;2-12,24H,1H3;2-11,24H,1H3;3*1-11,23-24H;2*1-11,23H;2*1-10,21H;
InChIKeyMLINRXOIYHTIFL-UHFFFAOYSA-N
XLogP47.61
TPSA864.30 Ų
H-Bond Donors15
H-Bond Acceptors59
Rotatable Bonds25
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003865.08
LogP ≤ 547.61
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1059

Analyze 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol (CID 159599924) is 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol is COc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cn1.Cc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.O=S=O.Oc1ccc(-c2cnc3cnc(-c4cccc(O)c4)nc3c2)cc1.Oc1ccc(-c2cnc3cnc(-c4ccccc4O)nc3c2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(C(F)(F)F)cc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(S)cc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4cccnc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccco4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccncc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccoc4)cc3n2)cc1.[C-]#[N+]c1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.[C-]#[N+]c1cccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c1.
What is the InChIKey of 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is MLINRXOIYHTIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O.2C20H12N4O.C20H15N3O.C19H14N4O2.2C19H13N3O2.C19H13N3OS.2C18H12N4O.2C17H11N3O2.O2S/c21-20(22,23)15-5-1-12(2-6-15)14-9-17-18(24-10-14)11-25-19(26-17)13-3-7-16(27)8-4-13;1-21-16-6-2-13(3-7-16)15-10-18-19(22-11-15)12-23-20(24-18)14-4-8-17(25)9-5-14;1-21-16-4-2-3-14(9-16)15-10-18-19(22-11-15)12-23-20(24-18)13-5-7-17(25)8-6-13;1-13-2-4-14(5-3-13)16-10-18-19(21-11-16)12-22-20(23-18)15-6-8-17(24)9-7-15;1-25-18-7-4-13(9-21-18)14-8-16-17(20-10-14)11-22-19(23-16)12-2-5-15(24)6-3-12;23-15-6-4-12(5-7-15)14-9-17-18(20-10-14)11-21-19(22-17)13-2-1-3-16(24)8-13;23-14-7-5-12(6-8-14)13-9-16-17(20-10-13)11-21-19(22-16)15-3-1-2-4-18(15)24;23-15-5-1-13(2-6-15)19-21-11-18-17(22-19)9-14(10-20-18)12-3-7-16(24)8-4-12;23-15-3-1-13(2-4-15)18-21-11-17-16(22-18)9-14(10-20-17)12-5-7-19-8-6-12;23-15-5-3-12(4-6-15)18-21-11-17-16(22-18)8-14(10-20-17)13-2-1-7-19-9-13;21-14-3-1-11(2-4-14)17-19-9-16-15(20-17)7-13(8-18-16)12-5-6-22-10-12;21-13-5-3-11(4-6-13)17-19-10-15-14(20-17)8-12(9-18-15)16-2-1-7-22-16;1-3-2/h1-11,27H;2*2-12,25H;2-12,24H,1H3;2-11,24H,1H3;3*1-11,23-24H;2*1-11,23H;2*1-10,21H;.
What are the key properties of 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol?
4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 3865.08 g/mol, XLogP of 47.61, 25 rotatable bonds, 15 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(furan-2-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(furan-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;2-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(3-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(6-methoxy-3-pyridinyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-(7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-pyridin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-[7-(4-sulfanylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;sulfur dioxide;4-[7-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 159599924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).