2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine

C74H79N15O3 — CID 145424769

About 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine

2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine (PubChem CID 145424769) has the molecular formula C74H79N15O3 and a molecular weight of 1226.55 g/mol. Its IUPAC name is 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine
• PubChem CID: 145424769
• Molecular Formula: C74H79N15O3
• Molecular Weight: 1226.55 g/mol
• Exact Mass: 1225.65
• IUPAC Name: 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine
• SMILES: Cc1cc(-c2cc(Oc3ccncc3)n3cc([C@H]4CCC[C@@H](c5ncc(-c6cc(OC7CN8CCC7CC8)n7cc([C@H]8CCC[C@@H](c9ncccc9C)N8C)nc7c6)cc5C)N4C)nc3c2)cnc1[C@@H]1CCC[C@H](c2cn3c(Oc4cccnc4)cccc3n2)N1C
• InChI: InChI=1S/C74H79N15O3/c1-46-13-11-28-77-72(46)62-18-7-16-60(83(62)4)58-44-89-68(82-58)36-51(38-71(89)92-65-45-86-31-25-49(65)26-32-86)53-34-48(3)74(79-40-53)64-20-9-17-61(85(64)6)57-43-88-67(81-57)35-50(37-70(88)90-54-23-29-75-30-24-54)52-33-47(2)73(78-39-52)63-19-8-15-59(84(63)5)56-42-87-66(80-56)21-10-22-69(87)91-55-14-12-27-76-41-55/h10-14,21-24,27-30,33-44,49,59-65H,7-9,15-20,25-26,31-32,45H2,1-6H3/t59-,60-,61-,62+,63+,64+,65?/m1/s1
• InChIKey: SVFGVKZNKMMXHR-VBCKMMOSSA-N
• XLogP: 14.62
• TPSA: 157.00 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.55
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine?

The IUPAC name of 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine (CID 145424769) is 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine.

What is the SMILES notation for 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine?

The canonical SMILES for 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine is Cc1cc(-c2cc(Oc3ccncc3)n3cc([C@H]4CCC[C@@H](c5ncc(-c6cc(OC7CN8CCC7CC8)n7cc([C@H]8CCC[C@@H](c9ncccc9C)N8C)nc7c6)cc5C)N4C)nc3c2)cnc1[C@@H]1CCC[C@H](c2cn3c(Oc4cccnc4)cccc3n2)N1C.

What is the InChIKey of 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine?

The InChIKey is SVFGVKZNKMMXHR-VBCKMMOSSA-N. The full InChI is InChI=1S/C74H79N15O3/c1-46-13-11-28-77-72(46)62-18-7-16-60(83(62)4)58-44-89-68(82-58)36-51(38-71(89)92-65-45-86-31-25-49(65)26-32-86)53-34-48(3)74(79-40-53)64-20-9-17-61(85(64)6)57-43-88-67(81-57)35-50(37-70(88)90-54-23-29-75-30-24-54)52-33-47(2)73(78-39-52)63-19-8-15-59(84(63)5)56-42-87-66(80-56)21-10-22-69(87)91-55-14-12-27-76-41-55/h10-14,21-24,27-30,33-44,49,59-65H,7-9,15-20,25-26,31-32,45H2,1-6H3/t59-,60-,61-,62+,63+,64+,65?/m1/s1.

What are the key properties of 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine?

2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine has a molecular weight of 1226.55 g/mol, XLogP of 14.62, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,6S)-6-[5-[5-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-1-methyl-6-(5-pyridin-3-yloxyimidazo[1,2-a]pyridin-2-yl)piperidin-2-yl]-3-pyridinyl]-5-pyridin-4-yloxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 145424769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).