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

C43H51F2N11O5 — CID 176935783

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

2-[[6-[[2-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide (PubChem CID 176935783) has the molecular formula C43H51F2N11O5 and a molecular weight of 839.95 g/mol. Its IUPAC name is 2-[[6-[[2-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-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-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide
• PubChem CID: 176935783
• Molecular Formula: C43H51F2N11O5
• Molecular Weight: 839.95 g/mol
• Exact Mass: 839.40
• IUPAC Name: 2-[[6-[[2-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-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(c6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6F)CC5)[C@H](F)C4)ncc3C)cnc2n(C(C)C)c1=O
• InChI: InChI=1S/C43H51F2N11O5/c1-23(2)56-40-27(17-33(42(56)60)61-22-35(58)46-4)16-28(19-47-40)49-39-24(3)18-48-43(51-39)55-15-12-26(32(44)21-55)20-54-13-10-25(11-14-54)29-6-7-30-37(52-53(5)38(30)36(29)45)31-8-9-34(57)50-41(31)59/h6-7,16-19,23,25-26,31-32H,8-15,20-22H2,1-5H3,(H,46,58)(H,48,49,51)(H,50,57,59)/t26-,31?,32-/m1/s1
• InChIKey: OMEGWOCRORJYAM-FNKIMFHMSA-N
• XLogP: 4.53
• TPSA: 181.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.95
LogP ≤ 5	4.53
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-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-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-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-1-yl]-5-methylpyrimidin-4-yl]amino]-2-oxo-1-propan-2-yl-1,8-naphthyridin-3-yl]oxy]-N-methylacetamide (CID 176935783) is 2-[[6-[[2-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-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-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-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-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-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(c6ccc7c(C8CCC(=O)NC8=O)nn(C)c7c6F)CC5)[C@H](F)C4)ncc3C)cnc2n(C(C)C)c1=O.

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

The InChIKey is OMEGWOCRORJYAM-FNKIMFHMSA-N. The full InChI is InChI=1S/C43H51F2N11O5/c1-23(2)56-40-27(17-33(42(56)60)61-22-35(58)46-4)16-28(19-47-40)49-39-24(3)18-48-43(51-39)55-15-12-26(32(44)21-55)20-54-13-10-25(11-14-54)29-6-7-30-37(52-53(5)38(30)36(29)45)31-8-9-34(57)50-41(31)59/h6-7,16-19,23,25-26,31-32H,8-15,20-22H2,1-5H3,(H,46,58)(H,48,49,51)(H,50,57,59)/t26-,31?,32-/m1/s1.

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

2-[[6-[[2-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-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 839.95 g/mol, XLogP of 4.53, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[2-[(3S,4R)-4-[[4-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-fluoropiperidin-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 176935783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).