N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide

C41H46F3N7O5 — CID 166468154

About N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide

N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide (PubChem CID 166468154) has the molecular formula C41H46F3N7O5 and a molecular weight of 773.86 g/mol. Its IUPAC name is N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 166468154
• Molecular Formula: C41H46F3N7O5
• Molecular Weight: 773.86 g/mol
• Exact Mass: 773.35
• IUPAC Name: N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide
• SMILES: CC(C)Oc1cc2nc(C3CCN(CC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C41H46F3N7O5/c1-25(2)56-35-21-36-46-33(22-51(36)23-34(35)47-39(54)29-4-3-5-30(20-29)41(42,43)44)28-12-16-49(17-13-28)24-38(53)50-18-14-27(15-19-50)26-6-8-31(9-7-26)45-32-10-11-37(52)48-40(32)55/h3-9,20-23,25,27-28,32,45H,10-19,24H2,1-2H3,(H,47,54)(H,48,52,55)
• InChIKey: ANUYRTUHFQJZSP-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 137.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.86
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide (CID 166468154) is N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide is CC(C)Oc1cc2nc(C3CCN(CC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is ANUYRTUHFQJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46F3N7O5/c1-25(2)56-35-21-36-46-33(22-51(36)23-34(35)47-39(54)29-4-3-5-30(20-29)41(42,43)44)28-12-16-49(17-13-28)24-38(53)50-18-14-27(15-19-50)26-6-8-31(9-7-26)45-32-10-11-37(52)48-40(32)55/h3-9,20-23,25,27-28,32,45H,10-19,24H2,1-2H3,(H,47,54)(H,48,52,55).

What are the key properties of N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide?

N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 773.86 g/mol, XLogP of 6.20, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 166468154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).