3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one

C105H75N13O10 — CID 158529487

About 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one

3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 158529487) has the molecular formula C105H75N13O10 and a molecular weight of 1678.84 g/mol. Its IUPAC name is 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one
• PubChem CID: 158529487
• Molecular Formula: C105H75N13O10
• Molecular Weight: 1678.84 g/mol
• Exact Mass: 1677.58
• IUPAC Name: 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one
• SMILES: C#Cc1ccc(-n2c(/C=C/c3c(CO)cc(OC)cc3OC)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3cc(OC)c(OC)c(OC)c3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3ccc4ccccc4c3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3ccc4ccccc4n3)nc3ncccc3c2=O)cc1
• InChI: InChI=1S/C27H17N3O.C26H16N4O.2C26H21N3O4/c1-2-19-10-14-23(15-11-19)30-25(29-26-24(27(30)31)8-5-17-28-26)16-12-20-9-13-21-6-3-4-7-22(21)18-20;1-2-18-9-14-21(15-10-18)30-24(29-25-22(26(30)31)7-5-17-27-25)16-13-20-12-11-19-6-3-4-8-23(19)28-20;1-5-17-8-11-19(12-9-17)29-23(28-25-20(26(29)30)7-6-14-27-25)13-10-18-15-21(31-2)24(33-4)22(16-18)32-3;1-4-17-7-9-19(10-8-17)29-24(28-25-22(26(29)31)6-5-13-27-25)12-11-21-18(16-30)14-20(32-2)15-23(21)33-3/h1,3-18H;1,3-17H;1,6-16H,2-4H3;1,5-15,30H,16H2,2-3H3/b16-12+;16-13+;13-10+;12-11+
• InChIKey: HNEPCDWXSYFXKX-CQQBPSECSA-N
• XLogP: 16.97
• TPSA: 270.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.84
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one?

The IUPAC name of 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one (CID 158529487) is 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one?

The canonical SMILES for 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one is C#Cc1ccc(-n2c(/C=C/c3c(CO)cc(OC)cc3OC)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3cc(OC)c(OC)c(OC)c3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3ccc4ccccc4c3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3ccc4ccccc4n3)nc3ncccc3c2=O)cc1.

What is the InChIKey of 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one?

The InChIKey is HNEPCDWXSYFXKX-CQQBPSECSA-N. The full InChI is InChI=1S/C27H17N3O.C26H16N4O.2C26H21N3O4/c1-2-19-10-14-23(15-11-19)30-25(29-26-24(27(30)31)8-5-17-28-26)16-12-20-9-13-21-6-3-4-7-22(21)18-20;1-2-18-9-14-21(15-10-18)30-24(29-25-22(26(30)31)7-5-17-27-25)16-13-20-12-11-19-6-3-4-8-23(19)28-20;1-5-17-8-11-19(12-9-17)29-23(28-25-20(26(29)30)7-6-14-27-25)13-10-18-15-21(31-2)24(33-4)22(16-18)32-3;1-4-17-7-9-19(10-8-17)29-24(28-25-22(26(29)31)6-5-13-27-25)12-11-21-18(16-30)14-20(32-2)15-23(21)33-3/h1,3-18H;1,3-17H;1,6-16H,2-4H3;1,5-15,30H,16H2,2-3H3/b16-12+;16-13+;13-10+;12-11+.

What are the key properties of 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one?

3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 1678.84 g/mol, XLogP of 16.97, 18 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-ethynylphenyl)-2-[(E)-2-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-quinolin-2-ylethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 158529487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).