4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid

C74H49N13O9S2 — CID 157299617

About 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid

4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid (PubChem CID 157299617) has the molecular formula C74H49N13O9S2 and a molecular weight of 1328.42 g/mol. Its IUPAC name is 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid
• PubChem CID: 157299617
• Molecular Formula: C74H49N13O9S2
• Molecular Weight: 1328.42 g/mol
• Exact Mass: 1327.32
• IUPAC Name: 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid
• SMILES: O=C(O)c1cc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cs1.O=Cc1cc(-c2ncc3ncc(-c4ccc(O)cc4)cc3n2)cs1.O=c1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c[nH]1.OCc1cccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c1
• InChI: InChI=1S/C20H15N3O2.C18H12N4O2.C18H11N3O3S.C18H11N3O2S/c24-12-13-2-1-3-15(8-13)16-9-18-19(21-10-16)11-22-20(23-18)14-4-6-17(25)7-5-14;23-14-4-1-11(2-5-14)18-21-10-16-15(22-18)7-13(9-19-16)12-3-6-17(24)20-8-12;22-13-3-1-10(2-4-13)17-20-8-15-14(21-17)5-11(7-19-15)12-6-16(18(23)24)25-9-12;22-9-15-5-13(10-24-15)18-20-8-17-16(21-18)6-12(7-19-17)11-1-3-14(23)4-2-11/h1-11,24-25H,12H2;1-10,23H,(H,20,24);1-9,22H,(H,23,24);1-10,23H
• InChIKey: BBTBRUJLDAQBGJ-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 343.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1328.42
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid?

The IUPAC name of 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid (CID 157299617) is 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid.

What is the SMILES notation for 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid?

The canonical SMILES for 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid is O=C(O)c1cc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)cs1.O=Cc1cc(-c2ncc3ncc(-c4ccc(O)cc4)cc3n2)cs1.O=c1ccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c[nH]1.OCc1cccc(-c2cnc3cnc(-c4ccc(O)cc4)nc3c2)c1.

What is the InChIKey of 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid?

The InChIKey is BBTBRUJLDAQBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.C18H12N4O2.C18H11N3O3S.C18H11N3O2S/c24-12-13-2-1-3-15(8-13)16-9-18-19(21-10-16)11-22-20(23-18)14-4-6-17(25)7-5-14;23-14-4-1-11(2-5-14)18-21-10-16-15(22-18)7-13(9-19-16)12-3-6-17(24)20-8-12;22-13-3-1-10(2-4-13)17-20-8-15-14(21-17)5-11(7-19-15)12-6-16(18(23)24)25-9-12;22-9-15-5-13(10-24-15)18-20-8-17-16(21-18)6-12(7-19-17)11-1-3-14(23)4-2-11/h1-11,24-25H,12H2;1-10,23H,(H,20,24);1-9,22H,(H,23,24);1-10,23H.

What are the key properties of 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid?

4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid has a molecular weight of 1328.42 g/mol, XLogP of 14.07, 11 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[3-(hydroxymethyl)phenyl]pyrido[3,2-d]pyrimidin-2-yl]phenol;5-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]-1H-pyridin-2-one;4-[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]thiophene-2-carbaldehyde;4-[2-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-7-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 157299617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).