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

C80H103N15O3 — CID 155373946

IUPAC7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine
SMILESCO[C@H](c1c([C@H]2CCC[C@@H](c3ncc(-c4ccn5c([C@H](OC)C6CCN(C)CC6)c([C@H]6CCC[C@@H](c7ncccc7C)N6C)nc5c4)cc3C)N2C)nc2cc(-c3cnc([C@@H]4CCC[C@H](c5cn6c(OC78CCN(CC7)CC8)cccc6n5)N4C)c(C)c3)ccn12)C1CCN(C)CC1
InChIInChI=1S/C80H103N15O3/c1-51-16-15-34-81-71(51)62-19-12-21-65(90(62)7)74-76(78(96-9)54-25-35-87(4)36-26-54)93-39-30-57(47-68(93)85-74)59-45-53(3)73(83-49-59)64-20-13-22-66(91(64)8)75-77(79(97-10)55-27-37-88(5)38-28-55)94-40-29-56(46-69(94)86-75)58-44-52(2)72(82-48-58)63-18-11-17-61(89(63)6)60-50-95-67(84-60)23-14-24-70(95)98-80-31-41-92(42-32-80)43-33-80/h14-16,23-24,29-30,34,39-40,44-50,54-55,61-66,78-79H,11-13,17-22,25-28,31-33,35-38,41-43H2,1-10H3/t61-,62+,63+,64+,65-,66-,78-,79+/m1/s1
InChIKeyOIOHZTUJOJLLIB-CUYZWLEOSA-N
MW1322.81 g/mol
LogP14.44
Rot. Bonds16

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

7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine (PubChem CID 155373946) has the molecular formula C80H103N15O3 and a molecular weight of 1322.81 g/mol. Its IUPAC name is 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine
PubChem CID155373946
Molecular FormulaC80H103N15O3
Molecular Weight1322.81 g/mol
Exact Mass1321.84
IUPAC Name7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine
SMILESCO[C@H](c1c([C@H]2CCC[C@@H](c3ncc(-c4ccn5c([C@H](OC)C6CCN(C)CC6)c([C@H]6CCC[C@@H](c7ncccc7C)N6C)nc5c4)cc3C)N2C)nc2cc(-c3cnc([C@@H]4CCC[C@H](c5cn6c(OC78CCN(CC7)CC8)cccc6n5)N4C)c(C)c3)ccn12)C1CCN(C)CC1
InChIInChI=1S/C80H103N15O3/c1-51-16-15-34-81-71(51)62-19-12-21-65(90(62)7)74-76(78(96-9)54-25-35-87(4)36-26-54)93-39-30-57(47-68(93)85-74)59-45-53(3)73(83-49-59)64-20-13-22-66(91(64)8)75-77(79(97-10)55-27-37-88(5)38-28-55)94-40-29-56(46-69(94)86-75)58-44-52(2)72(82-48-58)63-18-11-17-61(89(63)6)60-50-95-67(84-60)23-14-24-70(95)98-80-31-41-92(42-32-80)43-33-80/h14-16,23-24,29-30,34,39-40,44-50,54-55,61-66,78-79H,11-13,17-22,25-28,31-33,35-38,41-43H2,1-10H3/t61-,62+,63+,64+,65-,66-,78-,79+/m1/s1
InChIKeyOIOHZTUJOJLLIB-CUYZWLEOSA-N
XLogP14.44
TPSA137.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.81
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine?
The IUPAC name of 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine (CID 155373946) is 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine is CO[C@H](c1c([C@H]2CCC[C@@H](c3ncc(-c4ccn5c([C@H](OC)C6CCN(C)CC6)c([C@H]6CCC[C@@H](c7ncccc7C)N6C)nc5c4)cc3C)N2C)nc2cc(-c3cnc([C@@H]4CCC[C@H](c5cn6c(OC78CCN(CC7)CC8)cccc6n5)N4C)c(C)c3)ccn12)C1CCN(C)CC1.
What is the InChIKey of 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine?
The InChIKey is OIOHZTUJOJLLIB-CUYZWLEOSA-N. The full InChI is InChI=1S/C80H103N15O3/c1-51-16-15-34-81-71(51)62-19-12-21-65(90(62)7)74-76(78(96-9)54-25-35-87(4)36-26-54)93-39-30-57(47-68(93)85-74)59-45-53(3)73(83-49-59)64-20-13-22-66(91(64)8)75-77(79(97-10)55-27-37-88(5)38-28-55)94-40-29-56(46-69(94)86-75)58-44-52(2)72(82-48-58)63-18-11-17-61(89(63)6)60-50-95-67(84-60)23-14-24-70(95)98-80-31-41-92(42-32-80)43-33-80/h14-16,23-24,29-30,34,39-40,44-50,54-55,61-66,78-79H,11-13,17-22,25-28,31-33,35-38,41-43H2,1-10H3/t61-,62+,63+,64+,65-,66-,78-,79+/m1/s1.
What are the key properties of 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine?
7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine has a molecular weight of 1322.81 g/mol, XLogP of 14.44, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[(2S,6R)-6-[5-(1-azabicyclo[2.2.2]octan-4-yloxy)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-methyl-3-pyridinyl]-3-[(S)-methoxy-(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-[5-[3-[(R)-methoxy-(1-methylpiperidin-4-yl)methyl]-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]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155373946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).