4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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

C139H94F3N23O11S2 — CID 158493240

About 4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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 158493240) has the molecular formula C139H94F3N23O11S2 and a molecular weight of 2383.56 g/mol. Its IUPAC name is 4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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 Name: 4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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: 158493240
• Molecular Formula: C139H94F3N23O11S2
• Molecular Weight: 2383.56 g/mol
• Exact Mass: 2381.69
• IUPAC Name: 4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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
• SMILES: COc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.Cc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.O=S=O.OCc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(C(F)(F)F)cc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(S)cc4)cc3n2)cc1.[C-]#[N+]c1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.[C-]#[N+]c1cccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c1
• InChI: InChI=1S/C20H12F3N3O.2C20H12N4O.2C20H15N3O2.C20H15N3O.C19H13N3OS.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;1-25-17-8-4-13(5-9-17)15-10-18-19(21-11-15)12-22-20(23-18)14-2-6-16(24)7-3-14;24-12-13-1-3-14(4-2-13)16-9-18-19(21-10-16)11-22-20(23-18)15-5-7-17(25)8-6-15;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;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;1-3-2/h1-11,27H;2*2-12,25H;2-12,24H,1H3;1-11,24-25H,12H2;2-12,24H,1H3;1-11,23-24H
• InChIKey: HIYPDEMIISPUHY-UHFFFAOYSA-N
• XLogP: 30.00
• TPSA: 484.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.56
LogP ≤ 5	30.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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 158493240) is 4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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)cc1.Cc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.O=S=O.OCc1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(C(F)(F)F)cc4)cc3n2)cc1.Oc1ccc(-c2ncc3ncc(-c4ccc(S)cc4)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-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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 HIYPDEMIISPUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O.2C20H12N4O.2C20H15N3O2.C20H15N3O.C19H13N3OS.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;1-25-17-8-4-13(5-9-17)15-10-18-19(21-11-15)12-22-20(23-18)14-2-6-16(24)7-3-14;24-12-13-1-3-14(4-2-13)16-9-18-19(21-10-16)11-22-20(23-18)15-5-7-17(25)8-6-15;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;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;1-3-2/h1-11,27H;2*2-12,25H;2-12,24H,1H3;1-11,24-25H,12H2;2-12,24H,1H3;1-11,23-24H;.

What are the key properties of 4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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 2383.56 g/mol, XLogP of 30.00, 16 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[4-(hydroxymethyl)phenyl]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-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(4-methylphenyl)pyrido[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 158493240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).