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

C37H42F3N7O4 — CID 166468081

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

N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166468081) has the molecular formula C37H42F3N7O4 and a molecular weight of 705.78 g/mol. Its IUPAC name is N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 166468081
• Molecular Formula: C37H42F3N7O4
• Molecular Weight: 705.78 g/mol
• Exact Mass: 705.33
• IUPAC Name: N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(C)Oc1cc2nc(C3CCN(CCCCc4ccc(NC5CCC(=O)NC5=O)cc4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C37H42F3N7O4/c1-23(2)51-31-20-33-43-29(21-47(33)22-30(31)44-35(49)27-7-5-8-32(42-27)37(38,39)40)25-15-18-46(19-16-25)17-4-3-6-24-9-11-26(12-10-24)41-28-13-14-34(48)45-36(28)50/h5,7-12,20-23,25,28,41H,3-4,6,13-19H2,1-2H3,(H,44,49)(H,45,48,50)
• InChIKey: WDMPRDJGJPPBKW-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 129.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.78
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 166468081) is N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)Oc1cc2nc(C3CCN(CCCCc4ccc(NC5CCC(=O)NC5=O)cc4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.

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

The InChIKey is WDMPRDJGJPPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42F3N7O4/c1-23(2)51-31-20-33-43-29(21-47(33)22-30(31)44-35(49)27-7-5-8-32(42-27)37(38,39)40)25-15-18-46(19-16-25)17-4-3-6-24-9-11-26(12-10-24)41-28-13-14-34(48)45-36(28)50/h5,7-12,20-23,25,28,41H,3-4,6,13-19H2,1-2H3,(H,44,49)(H,45,48,50).

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

N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 705.78 g/mol, XLogP of 6.21, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166468081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).