8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one

C26H21F3N6O3 — CID 59639550

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639550) has the molecular formula C26H21F3N6O3 and a molecular weight of 522.49 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 59639550
• Molecular Formula: C26H21F3N6O3
• Molecular Weight: 522.49 g/mol
• Exact Mass: 522.16
• IUPAC Name: 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(F)ccc1-c1nc(NCC(=O)N2CCNC(=O)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F
• InChI: InChI=1S/C26H21F3N6O3/c1-14-11-15(27)5-6-16(14)23-17-7-8-21(37)35(24-18(28)3-2-4-19(24)29)25(17)33-26(32-23)31-12-22(38)34-10-9-30-20(36)13-34/h2-8,11H,9-10,12-13H2,1H3,(H,30,36)(H,31,32,33)
• InChIKey: HJUYMAYJLATDGH-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.49
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 59639550) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NCC(=O)N2CCNC(=O)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F.

What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HJUYMAYJLATDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O3/c1-14-11-15(27)5-6-16(14)23-17-7-8-21(37)35(24-18(28)3-2-4-19(24)29)25(17)33-26(32-23)31-12-22(38)34-10-9-30-20(36)13-34/h2-8,11H,9-10,12-13H2,1H3,(H,30,36)(H,31,32,33).

What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one?

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 522.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).