8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine

C75H91ClF3N17O — CID 145424607

IUPAC8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(CN4CCN(c5cccc6nc([C@H]7CCC[C@@H](c8ncccc8Cl)N7C)cn56)CC4)cccn3c2C=C2CCN(Cc3ccc(N4CCN(C)CC4)n4c(COC(F)(F)F)c([C@H]5CCC[C@@H](c6ncccc6C)N5C)nc34)CC2)N1C
InChIInChI=1S/C75H91ClF3N17O/c1-50-15-11-31-80-68(50)58-20-8-23-61(88(58)5)71-63(94-34-14-17-53(73(94)84-71)46-91-39-43-92(44-40-91)66-26-10-25-65-83-56(48-95(65)66)57-19-7-22-60(87(57)4)70-55(76)18-13-33-82-70)45-52-29-35-90(36-30-52)47-54-27-28-67(93-41-37-86(3)38-42-93)96-64(49-97-75(77,78)79)72(85-74(54)96)62-24-9-21-59(89(62)6)69-51(2)16-12-32-81-69/h10-18,25-28,31-34,45,48,57-62H,7-9,19-24,29-30,35-44,46-47,49H2,1-6H3/t57-,58+,59+,60+,61-,62-/m1/s1
InChIKeyHEAXBKQAKAPSPG-HGJAENOZSA-N
MW1339.12 g/mol
LogP13.57
Rot. Bonds15

About 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine

8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine (PubChem CID 145424607) has the molecular formula C75H91ClF3N17O and a molecular weight of 1339.12 g/mol. Its IUPAC name is 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine
PubChem CID145424607
Molecular FormulaC75H91ClF3N17O
Molecular Weight1339.12 g/mol
Exact Mass1337.72
IUPAC Name8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3c(CN4CCN(c5cccc6nc([C@H]7CCC[C@@H](c8ncccc8Cl)N7C)cn56)CC4)cccn3c2C=C2CCN(Cc3ccc(N4CCN(C)CC4)n4c(COC(F)(F)F)c([C@H]5CCC[C@@H](c6ncccc6C)N5C)nc34)CC2)N1C
InChIInChI=1S/C75H91ClF3N17O/c1-50-15-11-31-80-68(50)58-20-8-23-61(88(58)5)71-63(94-34-14-17-53(73(94)84-71)46-91-39-43-92(44-40-91)66-26-10-25-65-83-56(48-95(65)66)57-19-7-22-60(87(57)4)70-55(76)18-13-33-82-70)45-52-29-35-90(36-30-52)47-54-27-28-67(93-41-37-86(3)38-42-93)96-64(49-97-75(77,78)79)72(85-74(54)96)62-24-9-21-59(89(62)6)69-51(2)16-12-32-81-69/h10-18,25-28,31-34,45,48,57-62H,7-9,19-24,29-30,35-44,46-47,49H2,1-6H3/t57-,58+,59+,60+,61-,62-/m1/s1
InChIKeyHEAXBKQAKAPSPG-HGJAENOZSA-N
XLogP13.57
TPSA125.72 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001339.12
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine (CID 145424607) is 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(CN4CCN(c5cccc6nc([C@H]7CCC[C@@H](c8ncccc8Cl)N7C)cn56)CC4)cccn3c2C=C2CCN(Cc3ccc(N4CCN(C)CC4)n4c(COC(F)(F)F)c([C@H]5CCC[C@@H](c6ncccc6C)N5C)nc34)CC2)N1C.
What is the InChIKey of 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine?
The InChIKey is HEAXBKQAKAPSPG-HGJAENOZSA-N. The full InChI is InChI=1S/C75H91ClF3N17O/c1-50-15-11-31-80-68(50)58-20-8-23-61(88(58)5)71-63(94-34-14-17-53(73(94)84-71)46-91-39-43-92(44-40-91)66-26-10-25-65-83-56(48-95(65)66)57-19-7-22-60(87(57)4)70-55(76)18-13-33-82-70)45-52-29-35-90(36-30-52)47-54-27-28-67(93-41-37-86(3)38-42-93)96-64(49-97-75(77,78)79)72(85-74(54)96)62-24-9-21-59(89(62)6)69-51(2)16-12-32-81-69/h10-18,25-28,31-34,45,48,57-62H,7-9,19-24,29-30,35-44,46-47,49H2,1-6H3/t57-,58+,59+,60+,61-,62-/m1/s1.
What are the key properties of 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine?
8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine has a molecular weight of 1339.12 g/mol, XLogP of 13.57, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[[8-[[4-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methylidene]piperidin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).