2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine

C80H102F3N15 — CID 155373918

IUPAC2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(Cc3cccn4c(CC5CCN(CCc6cccn7c(CC8CCN(CC(F)(F)F)CC8)c([C@H]8CCC[C@@H](c9ncccc9C)N8C)nc67)CC5)c([C@H]5CCC[C@@H](c6ncccc6C)N5C)nc34)CC2)N1C
InChIInChI=1S/C80H102F3N15/c1-54-17-12-36-84-72(54)62-22-9-25-65(90(62)4)75-68(96-39-8-7-28-71(96)87-75)49-58-31-44-94(45-32-58)52-61-21-16-41-98-70(77(89-79(61)98)67-27-11-24-64(92(67)6)74-56(3)19-14-38-86-74)50-57-29-42-93(43-30-57)48-35-60-20-15-40-97-69(51-59-33-46-95(47-34-59)53-80(81,82)83)76(88-78(60)97)66-26-10-23-63(91(66)5)73-55(2)18-13-37-85-73/h7-8,12-21,28,36-41,57-59,62-67H,9-11,22-27,29-35,42-53H2,1-6H3/t62-,63-,64-,65+,66+,67+/m0/s1
InChIKeyUSKWAFYLMDZCBT-IMDHMMJZSA-N
MW1330.79 g/mol
LogP15.20
Rot. Bonds18

About 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 155373918) has the molecular formula C80H102F3N15 and a molecular weight of 1330.79 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID155373918
Molecular FormulaC80H102F3N15
Molecular Weight1330.79 g/mol
Exact Mass1329.84
IUPAC Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(Cc3cccn4c(CC5CCN(CCc6cccn7c(CC8CCN(CC(F)(F)F)CC8)c([C@H]8CCC[C@@H](c9ncccc9C)N8C)nc67)CC5)c([C@H]5CCC[C@@H](c6ncccc6C)N5C)nc34)CC2)N1C
InChIInChI=1S/C80H102F3N15/c1-54-17-12-36-84-72(54)62-22-9-25-65(90(62)4)75-68(96-39-8-7-28-71(96)87-75)49-58-31-44-94(45-32-58)52-61-21-16-41-98-70(77(89-79(61)98)67-27-11-24-64(92(67)6)74-56(3)19-14-38-86-74)50-57-29-42-93(43-30-57)48-35-60-20-15-40-97-69(51-59-33-46-95(47-34-59)53-80(81,82)83)76(88-78(60)97)66-26-10-23-63(91(66)5)73-55(2)18-13-37-85-73/h7-8,12-21,28,36-41,57-59,62-67H,9-11,22-27,29-35,42-53H2,1-6H3/t62-,63-,64-,65+,66+,67+/m0/s1
InChIKeyUSKWAFYLMDZCBT-IMDHMMJZSA-N
XLogP15.20
TPSA110.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001330.79
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine (CID 155373918) is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(Cc3cccn4c(CC5CCN(CCc6cccn7c(CC8CCN(CC(F)(F)F)CC8)c([C@H]8CCC[C@@H](c9ncccc9C)N8C)nc67)CC5)c([C@H]5CCC[C@@H](c6ncccc6C)N5C)nc34)CC2)N1C.
What is the InChIKey of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is USKWAFYLMDZCBT-IMDHMMJZSA-N. The full InChI is InChI=1S/C80H102F3N15/c1-54-17-12-36-84-72(54)62-22-9-25-65(90(62)4)75-68(96-39-8-7-28-71(96)87-75)49-58-31-44-94(45-32-58)52-61-21-16-41-98-70(77(89-79(61)98)67-27-11-24-64(92(67)6)74-56(3)19-14-38-86-74)50-57-29-42-93(43-30-57)48-35-60-20-15-40-97-69(51-59-33-46-95(47-34-59)53-80(81,82)83)76(88-78(60)97)66-26-10-23-63(91(66)5)73-55(2)18-13-37-85-73/h7-8,12-21,28,36-41,57-59,62-67H,9-11,22-27,29-35,42-53H2,1-6H3/t62-,63-,64-,65+,66+,67+/m0/s1.
What are the key properties of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine?
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 1330.79 g/mol, XLogP of 15.20, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-8-[[4-[[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-yl]methyl]-3-[[1-[2-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-a]pyridin-8-yl]ethyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155373918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).