2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione

C41H51F3N8O4 — CID 166472086

About 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione

2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione (PubChem CID 166472086) has the molecular formula C41H51F3N8O4 and a molecular weight of 776.91 g/mol. Its IUPAC name is 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione
• PubChem CID: 166472086
• Molecular Formula: C41H51F3N8O4
• Molecular Weight: 776.91 g/mol
• Exact Mass: 776.40
• IUPAC Name: 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione
• SMILES: CC(C)Oc1cc2nc(C3CCCCC3)cn2cc1C(=O)Nc1cccc(C(F)(F)F)n1.CN(C)C1CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1
• InChI: InChI=1S/C23H25F3N4O2.C18H26N4O2/c1-14(2)32-18-11-21-27-17(15-7-4-3-5-8-15)13-30(21)12-16(18)22(31)29-20-10-6-9-19(28-20)23(24,25)26;1-21(2)14-9-11-22(12-10-14)15-5-3-13(4-6-15)19-16-7-8-17(23)20-18(16)24/h6,9-15H,3-5,7-8H2,1-2H3,(H,28,29,31);3-6,14,16,19H,7-12H2,1-2H3,(H,20,23,24)
• InChIKey: DQVZWPSIRMMXAY-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 133.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.91
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione?

The IUPAC name of 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione (CID 166472086) is 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione.

What is the SMILES notation for 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione?

The canonical SMILES for 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione is CC(C)Oc1cc2nc(C3CCCCC3)cn2cc1C(=O)Nc1cccc(C(F)(F)F)n1.CN(C)C1CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1.

What is the InChIKey of 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione?

The InChIKey is DQVZWPSIRMMXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2.C18H26N4O2/c1-14(2)32-18-11-21-27-17(15-7-4-3-5-8-15)13-30(21)12-16(18)22(31)29-20-10-6-9-19(28-20)23(24,25)26;1-21(2)14-9-11-22(12-10-14)15-5-3-13(4-6-15)19-16-7-8-17(23)20-18(16)24/h6,9-15H,3-5,7-8H2,1-2H3,(H,28,29,31);3-6,14,16,19H,7-12H2,1-2H3,(H,20,23,24).

What are the key properties of 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione?

2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione has a molecular weight of 776.91 g/mol, XLogP of 7.27, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 166472086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).