N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid

C36H40F3N7O6 — CID 175845337

About N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid

N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid (PubChem CID 175845337) has the molecular formula C36H40F3N7O6 and a molecular weight of 723.75 g/mol. Its IUPAC name is N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid.

Molecular Properties

• Compound Name: N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid
• PubChem CID: 175845337
• Molecular Formula: C36H40F3N7O6
• Molecular Weight: 723.75 g/mol
• Exact Mass: 723.30
• IUPAC Name: N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid
• SMILES: CC(C)Oc1cc2nc(C3CCN(CCc4ccc(NC5CCC(=O)NC5=O)cc4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=CO
• InChI: InChI=1S/C35H38F3N7O4.CH2O2/c1-21(2)49-29-18-31-41-27(19-45(31)20-28(29)42-33(47)25-4-3-5-30(40-25)35(36,37)38)23-13-16-44(17-14-23)15-12-22-6-8-24(9-7-22)39-26-10-11-32(46)43-34(26)48;2-1-3/h3-9,18-21,23,26,39H,10-17H2,1-2H3,(H,42,47)(H,43,46,48);1H,(H,2,3)
• InChIKey: OUFQFPVABKJCQU-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 167.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.75
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid (CID 175845337) is N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid.

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

The canonical SMILES for N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid is CC(C)Oc1cc2nc(C3CCN(CCc4ccc(NC5CCC(=O)NC5=O)cc4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=CO.

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

The InChIKey is OUFQFPVABKJCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F3N7O4.CH2O2/c1-21(2)49-29-18-31-41-27(19-45(31)20-28(29)42-33(47)25-4-3-5-30(40-25)35(36,37)38)23-13-16-44(17-14-23)15-12-22-6-8-24(9-7-22)39-26-10-11-32(46)43-34(26)48;2-1-3/h3-9,18-21,23,26,39H,10-17H2,1-2H3,(H,42,47)(H,43,46,48);1H,(H,2,3).

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

N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid has a molecular weight of 723.75 g/mol, XLogP of 5.13, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid is sourced from PubChem (CID 175845337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).