N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide

C54H55F3N10O5 — CID 177302233

About N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide

N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide (PubChem CID 177302233) has the molecular formula C54H55F3N10O5 and a molecular weight of 981.09 g/mol. Its IUPAC name is N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide
• PubChem CID: 177302233
• Molecular Formula: C54H55F3N10O5
• Molecular Weight: 981.09 g/mol
• Exact Mass: 980.43
• IUPAC Name: N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide
• SMILES: CN(C(=O)c1cc(F)c(C2CCN(Cc3cc4c(-n5cc(F)c6c(c5=O)CCN6)ccnc4n3C)CC2)c(F)c1)c1ccc(C2CCN(Cc3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)CC2)cc1
• InChI: InChI=1S/C54H55F3N10O5/c1-61-37(27-39-43(13-19-59-50(39)61)66-30-42(57)49-38(53(66)71)12-18-58-49)29-65-22-16-34(17-23-65)48-40(55)25-35(26-41(48)56)52(70)62(2)36-7-5-32(6-8-36)33-14-20-64(21-15-33)28-31-4-9-44-46(24-31)63(3)54(72)67(44)45-10-11-47(68)60-51(45)69/h4-9,13,19,24-27,30,33-34,45,58H,10-12,14-18,20-23,28-29H2,1-3H3,(H,60,68,69)
• InChIKey: IETKNJXWXWIDPV-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 151.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	981.09
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide?

The IUPAC name of N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide (CID 177302233) is N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide.

What is the SMILES notation for N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide?

The canonical SMILES for N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide is CN(C(=O)c1cc(F)c(C2CCN(Cc3cc4c(-n5cc(F)c6c(c5=O)CCN6)ccnc4n3C)CC2)c(F)c1)c1ccc(C2CCN(Cc3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)CC2)cc1.

What is the InChIKey of N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide?

The InChIKey is IETKNJXWXWIDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H55F3N10O5/c1-61-37(27-39-43(13-19-59-50(39)61)66-30-42(57)49-38(53(66)71)12-18-58-49)29-65-22-16-34(17-23-65)48-40(55)25-35(26-41(48)56)52(70)62(2)36-7-5-32(6-8-36)33-14-20-64(21-15-33)28-31-4-9-44-46(24-31)63(3)54(72)67(44)45-10-11-47(68)60-51(45)69/h4-9,13,19,24-27,30,33-34,45,58H,10-12,14-18,20-23,28-29H2,1-3H3,(H,60,68,69).

What are the key properties of N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide?

N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide has a molecular weight of 981.09 g/mol, XLogP of 6.78, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperidin-4-yl]phenyl]-3,5-difluoro-4-[1-[[4-(7-fluoro-4-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 177302233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).