4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol

C94H67N15O11S3 — CID 158596127

About 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol

4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 158596127) has the molecular formula C94H67N15O11S3 and a molecular weight of 1678.86 g/mol. Its IUPAC name is 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

• Compound Name: 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol
• PubChem CID: 158596127
• Molecular Formula: C94H67N15O11S3
• Molecular Weight: 1678.86 g/mol
• Exact Mass: 1677.43
• IUPAC Name: 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol
• SMILES: COc1cc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)ccc1O.COc1cc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cs1.COc1cscc1-c1cnc2cnc(-c3ccc(O)cc3)nc2c1.O=Cc1cccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c1.OCc1cc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cs1
• InChI: InChI=1S/C20H15N3O3.C20H13N3O2.3C18H13N3O2S/c1-26-19-9-13(4-7-18(19)25)14-8-16-17(21-10-14)11-22-20(23-16)12-2-5-15(24)6-3-12;24-12-13-2-1-3-15(8-13)16-9-18-19(21-10-16)11-22-20(23-18)14-4-6-17(25)7-5-14;1-23-17-7-13(10-24-17)12-6-15-16(19-8-12)9-20-18(21-15)11-2-4-14(22)5-3-11;1-23-17-10-24-9-14(17)12-6-15-16(19-7-12)8-20-18(21-15)11-2-4-13(22)5-3-11;22-9-15-5-13(10-24-15)12-6-16-17(19-7-12)8-20-18(21-16)11-1-3-14(23)4-2-11/h2-11,24-25H,1H3;1-12,25H;2*2-10,22H,1H3;1-8,10,22-23H,9H2
• InChIKey: HVAWGBXWVLFCAC-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 379.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.86
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol?

The IUPAC name of 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol (CID 158596127) is 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol.

What is the SMILES notation for 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol?

The canonical SMILES for 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol is COc1cc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)ccc1O.COc1cc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cs1.COc1cscc1-c1cnc2cnc(-c3ccc(O)cc3)nc2c1.O=Cc1cccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c1.OCc1cc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cs1.

What is the InChIKey of 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol?

The InChIKey is HVAWGBXWVLFCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3.C20H13N3O2.3C18H13N3O2S/c1-26-19-9-13(4-7-18(19)25)14-8-16-17(21-10-14)11-22-20(23-16)12-2-5-15(24)6-3-12;24-12-13-2-1-3-15(8-13)16-9-18-19(21-10-16)11-22-20(23-18)14-4-6-17(25)7-5-14;1-23-17-7-13(10-24-17)12-6-15-16(19-8-12)9-20-18(21-15)11-2-4-14(22)5-3-11;1-23-17-10-24-9-14(17)12-6-15-16(19-7-12)8-20-18(21-15)11-2-4-13(22)5-3-11;22-9-15-5-13(10-24-15)12-6-16-17(19-7-12)8-20-18(21-16)11-1-3-14(23)4-2-11/h2-11,24-25H,1H3;1-12,25H;2*2-10,22H,1H3;1-8,10,22-23H,9H2.

What are the key properties of 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol?

4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 1678.86 g/mol, XLogP of 19.54, 15 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[5-(hydroxymethyl)thiophen-3-yl]pyrido[3,2-d]pyrimidin-2-yl]phenol;3-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]benzaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-2-methoxyphenol;4-[7-(4-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol;4-[7-(5-methoxythiophen-3-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 158596127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).