5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one

C26H26F2N6O3 — CID 123572585

About 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one

5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one (PubChem CID 123572585) has the molecular formula C26H26F2N6O3 and a molecular weight of 508.53 g/mol. Its IUPAC name is 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one
• PubChem CID: 123572585
• Molecular Formula: C26H26F2N6O3
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.20
• IUPAC Name: 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one
• SMILES: COc1cc(OC)c(F)c(CC=C2C=Cc3ncc(-c4cnn(C)c4)nc3N2CC2CCC(=O)N2)c1F
• InChI: InChI=1S/C26H26F2N6O3/c1-33-13-15(11-30-33)20-12-29-19-8-6-17(34(26(19)32-20)14-16-4-9-23(35)31-16)5-7-18-24(27)21(36-2)10-22(37-3)25(18)28/h5-6,8,10-13,16H,4,7,9,14H2,1-3H3,(H,31,35)
• InChIKey: LJQHYWBFTHSOJJ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 94.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one?

The IUPAC name of 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one (CID 123572585) is 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one.

What is the SMILES notation for 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one?

The canonical SMILES for 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one is COc1cc(OC)c(F)c(CC=C2C=Cc3ncc(-c4cnn(C)c4)nc3N2CC2CCC(=O)N2)c1F.

What is the InChIKey of 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one?

The InChIKey is LJQHYWBFTHSOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O3/c1-33-13-15(11-30-33)20-12-29-19-8-6-17(34(26(19)32-20)14-16-4-9-23(35)31-16)5-7-18-24(27)21(36-2)10-22(37-3)25(18)28/h5-6,8,10-13,16H,4,7,9,14H2,1-3H3,(H,31,35).

What are the key properties of 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one?

5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one has a molecular weight of 508.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethylidene]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-5-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 123572585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).