5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one

C25H22N4O2 — CID 136875377

About 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one

5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136875377) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one
• PubChem CID: 136875377
• Molecular Formula: C25H22N4O2
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.17
• IUPAC Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one
• SMILES: COc1ccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c23)cc1
• InChI: InChI=1S/C25H22N4O2/c1-16-15-19-5-3-4-6-21(19)29(16)25-27-23-22(24(30)28-25)18(13-14-26-23)10-7-17-8-11-20(31-2)12-9-17/h3-14,16H,15H2,1-2H3,(H,26,27,28,30)/b10-7+/t16-/m0/s1
• InChIKey: JGVLBXRPZXHJED-JCVNQNCUSA-N
• XLogP: 4.58
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one?

The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136875377) is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one?

The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one is COc1ccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c23)cc1.

What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one?

The InChIKey is JGVLBXRPZXHJED-JCVNQNCUSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-16-15-19-5-3-4-6-21(19)29(16)25-27-23-22(24(30)28-25)18(13-14-26-23)10-7-17-8-11-20(31-2)12-9-17/h3-14,16H,15H2,1-2H3,(H,26,27,28,30)/b10-7+/t16-/m0/s1.

What are the key properties of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one?

5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 410.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136875377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).