N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C42H51F3N8O4 — CID 167304623

About N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167304623) has the molecular formula C42H51F3N8O4 and a molecular weight of 788.92 g/mol. Its IUPAC name is N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 167304623
• Molecular Formula: C42H51F3N8O4
• Molecular Weight: 788.92 g/mol
• Exact Mass: 788.40
• IUPAC Name: N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(C)Oc1cc2nc(C3CCC(CN(C)C4CCN(Cc5cccc(NC6CCC(=O)NC6=O)c5)CC4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C42H51F3N8O4/c1-26(2)57-36-21-38-48-34(24-53(38)25-35(36)49-40(55)32-8-5-9-37(47-32)42(43,44)45)29-12-10-27(11-13-29)22-51(3)31-16-18-52(19-17-31)23-28-6-4-7-30(20-28)46-33-14-15-39(54)50-41(33)56/h4-9,20-21,24-27,29,31,33,46H,10-19,22-23H2,1-3H3,(H,49,55)(H,50,54,56)
• InChIKey: ZLOWITVIULZFRP-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 133.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.92
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167304623) is N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)Oc1cc2nc(C3CCC(CN(C)C4CCN(Cc5cccc(NC6CCC(=O)NC6=O)c5)CC4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.

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

The InChIKey is ZLOWITVIULZFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H51F3N8O4/c1-26(2)57-36-21-38-48-34(24-53(38)25-35(36)49-40(55)32-8-5-9-37(47-32)42(43,44)45)29-12-10-27(11-13-29)22-51(3)31-16-18-52(19-17-31)23-28-6-4-7-30(20-28)46-33-14-15-39(54)50-41(33)56/h4-9,20-21,24-27,29,31,33,46H,10-19,22-23H2,1-3H3,(H,49,55)(H,50,54,56).

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

N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 788.92 g/mol, XLogP of 6.87, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167304623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).