2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine

C103H131F10N23O — CID 160615097

IUPAC2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine
SMILESCCN1[C@@H](c2cn3c(N4CCN(CC(F)(F)F)CC4)cccc3n2)CCC[C@H]1c1ncccc1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2F)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(CC(F)(F)F)CC4)n3c2CO)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(CC(F)(F)F)CC2)N1C
InChIInChI=1S/C27H34F3N5.C26H33F3N6O.C26H33F3N6.C24H31FN6/c1-19-7-6-13-31-25(19)21-8-5-9-22(33(21)2)26-23(35-14-4-3-10-24(35)32-26)17-20-11-15-34(16-12-20)18-27(28,29)30;1-18-6-5-11-30-24(18)19-7-3-8-20(32(19)2)25-21(16-36)35-22(31-25)9-4-10-23(35)34-14-12-33(13-15-34)17-26(27,28)29;1-3-34-21(8-4-9-22(34)25-19(2)7-6-12-30-25)20-17-35-23(31-20)10-5-11-24(35)33-15-13-32(14-16-33)18-26(27,28)29;1-17-7-6-12-26-22(17)18-8-4-9-19(29(18)3)23-24(25)31-20(27-23)10-5-11-21(31)30-15-13-28(2)14-16-30/h3-4,6-7,10,13-14,20-22H,5,8-9,11-12,15-18H2,1-2H3;4-6,9-11,19-20,36H,3,7-8,12-17H2,1-2H3;5-7,10-12,17,21-22H,3-4,8-9,13-16,18H2,1-2H3;5-7,10-12,18-19H,4,8-9,13-16H2,1-3H3/t21-,22+;19-,20+;21-,22+;18-,19+/m0010/s1
InChIKeyRFZHITMQTACXCL-PSVYUZALSA-N
MW1897.32 g/mol
LogP18.70
Rot. Bonds18

About 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine

2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine (PubChem CID 160615097) has the molecular formula C103H131F10N23O and a molecular weight of 1897.32 g/mol. Its IUPAC name is 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine
PubChem CID160615097
Molecular FormulaC103H131F10N23O
Molecular Weight1897.32 g/mol
Exact Mass1896.07
IUPAC Name2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine
SMILESCCN1[C@@H](c2cn3c(N4CCN(CC(F)(F)F)CC4)cccc3n2)CCC[C@H]1c1ncccc1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2F)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(CC(F)(F)F)CC4)n3c2CO)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(CC(F)(F)F)CC2)N1C
InChIInChI=1S/C27H34F3N5.C26H33F3N6O.C26H33F3N6.C24H31FN6/c1-19-7-6-13-31-25(19)21-8-5-9-22(33(21)2)26-23(35-14-4-3-10-24(35)32-26)17-20-11-15-34(16-12-20)18-27(28,29)30;1-18-6-5-11-30-24(18)19-7-3-8-20(32(19)2)25-21(16-36)35-22(31-25)9-4-10-23(35)34-14-12-33(13-15-34)17-26(27,28)29;1-3-34-21(8-4-9-22(34)25-19(2)7-6-12-30-25)20-17-35-23(31-20)10-5-11-24(35)33-15-13-32(14-16-33)18-26(27,28)29;1-17-7-6-12-26-22(17)18-8-4-9-19(29(18)3)23-24(25)31-20(27-23)10-5-11-21(31)30-15-13-28(2)14-16-30/h3-4,6-7,10,13-14,20-22H,5,8-9,11-12,15-18H2,1-2H3;4-6,9-11,19-20,36H,3,7-8,12-17H2,1-2H3;5-7,10-12,17,21-22H,3-4,8-9,13-16,18H2,1-2H3;5-7,10-12,18-19H,4,8-9,13-16H2,1-3H3/t21-,22+;19-,20+;21-,22+;18-,19+/m0010/s1
InChIKeyRFZHITMQTACXCL-PSVYUZALSA-N
XLogP18.70
TPSA176.63 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms137
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001897.32
LogP ≤ 518.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine?
The IUPAC name of 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine (CID 160615097) is 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine.
What is the SMILES notation for 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine?
The canonical SMILES for 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine is CCN1[C@@H](c2cn3c(N4CCN(CC(F)(F)F)CC4)cccc3n2)CCC[C@H]1c1ncccc1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2F)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(CC(F)(F)F)CC4)n3c2CO)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(CC(F)(F)F)CC2)N1C.
What is the InChIKey of 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine?
The InChIKey is RFZHITMQTACXCL-PSVYUZALSA-N. The full InChI is InChI=1S/C27H34F3N5.C26H33F3N6O.C26H33F3N6.C24H31FN6/c1-19-7-6-13-31-25(19)21-8-5-9-22(33(21)2)26-23(35-14-4-3-10-24(35)32-26)17-20-11-15-34(16-12-20)18-27(28,29)30;1-18-6-5-11-30-24(18)19-7-3-8-20(32(19)2)25-21(16-36)35-22(31-25)9-4-10-23(35)34-14-12-33(13-15-34)17-26(27,28)29;1-3-34-21(8-4-9-22(34)25-19(2)7-6-12-30-25)20-17-35-23(31-20)10-5-11-24(35)33-15-13-32(14-16-33)18-26(27,28)29;1-17-7-6-12-26-22(17)18-8-4-9-19(29(18)3)23-24(25)31-20(27-23)10-5-11-21(31)30-15-13-28(2)14-16-30/h3-4,6-7,10,13-14,20-22H,5,8-9,11-12,15-18H2,1-2H3;4-6,9-11,19-20,36H,3,7-8,12-17H2,1-2H3;5-7,10-12,17,21-22H,3-4,8-9,13-16,18H2,1-2H3;5-7,10-12,18-19H,4,8-9,13-16H2,1-3H3/t21-,22+;19-,20+;21-,22+;18-,19+/m0010/s1.
What are the key properties of 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine?
2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine has a molecular weight of 1897.32 g/mol, XLogP of 18.70, 18 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridine;3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol;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]pyridine is sourced from PubChem (CID 160615097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).