2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide

C43H49F4N11O5 — CID 176935723

About 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide

2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide (PubChem CID 176935723) has the molecular formula C43H49F4N11O5 and a molecular weight of 875.93 g/mol. Its IUPAC name is 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide
• PubChem CID: 176935723
• Molecular Formula: C43H49F4N11O5
• Molecular Weight: 875.93 g/mol
• Exact Mass: 875.39
• IUPAC Name: 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CC[C@@H](CN5CCC(c6c(F)cc7c(C8CCC(=O)NC8=O)nn(C)c7c6F)CC5)C(F)(F)C4)ncc3C)cnc2n(C(C)C)c1=O
• InChI: InChI=1S/C43H49F4N11O5/c1-22(2)58-39-25(15-31(41(58)62)63-20-33(60)48-4)14-27(18-49-39)51-38-23(3)17-50-42(53-38)57-13-10-26(43(46,47)21-57)19-56-11-8-24(9-12-56)34-30(44)16-29-36(54-55(5)37(29)35(34)45)28-6-7-32(59)52-40(28)61/h14-18,22,24,26,28H,6-13,19-21H2,1-5H3,(H,48,60)(H,50,51,53)(H,52,59,61)/t26-,28?/m0/s1
• InChIKey: SEUAFXYYZDXZLT-QODXOHEASA-N
• XLogP: 4.97
• TPSA: 181.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.93
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide?

The IUPAC name of 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide (CID 176935723) is 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide.

What is the SMILES notation for 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide?

The canonical SMILES for 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide is CNC(=O)COc1cc2cc(Nc3nc(N4CC[C@@H](CN5CCC(c6c(F)cc7c(C8CCC(=O)NC8=O)nn(C)c7c6F)CC5)C(F)(F)C4)ncc3C)cnc2n(C(C)C)c1=O.

What is the InChIKey of 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide?

The InChIKey is SEUAFXYYZDXZLT-QODXOHEASA-N. The full InChI is InChI=1S/C43H49F4N11O5/c1-22(2)58-39-25(15-31(41(58)62)63-20-33(60)48-4)14-27(18-49-39)51-38-23(3)17-50-42(53-38)57-13-10-26(43(46,47)21-57)19-56-11-8-24(9-12-56)34-30(44)16-29-36(54-55(5)37(29)35(34)45)28-6-7-32(59)52-40(28)61/h14-18,22,24,26,28H,6-13,19-21H2,1-5H3,(H,48,60)(H,50,51,53)(H,52,59,61)/t26-,28?/m0/s1.

What are the key properties of 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide?

2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide has a molecular weight of 875.93 g/mol, XLogP of 4.97, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[2-[(4S)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-5,7-difluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3,3-difluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide is sourced from PubChem (CID 176935723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).