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

C105H122F3N21 — CID 158621552

IUPAC2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCc1ccc(C)c([C@@H]2CCC[C@H](c3cn4ccccc4n3)N2CCc2ccccn2)n1.Cc1cccc(CCN2[C@@H](c3cn4ccccc4n3)CCC[C@H]2c2nc(C)ccc2C)n1.Cc1cccc(CCN2[C@@H](c3cn4ccccc4n3)CCC[C@H]2c2ncccc2C)n1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CN2CCN(CC(F)(F)F)CC2)N1C
InChIInChI=1S/C27H31N5.C26H33F3N6.2C26H29N5/c1-19-13-14-21(3)29-27(19)25-11-7-10-24(23-18-31-16-5-4-12-26(31)30-23)32(25)17-15-22-9-6-8-20(2)28-22;1-19-7-6-11-30-24(19)20-8-5-9-21(32(20)2)25-22(35-12-4-3-10-23(35)31-25)17-33-13-15-34(16-14-33)18-26(27,28)29;1-19-12-13-20(2)28-26(19)24-10-7-9-23(22-18-30-16-6-4-11-25(30)29-22)31(24)17-14-21-8-3-5-15-27-21;1-19-8-7-15-27-26(19)24-12-6-11-23(22-18-30-16-4-3-13-25(30)29-22)31(24)17-14-21-10-5-9-20(2)28-21/h4-6,8-9,12-14,16,18,24-25H,7,10-11,15,17H2,1-3H3;3-4,6-7,10-12,20-21H,5,8-9,13-18H2,1-2H3;3-6,8,11-13,15-16,18,23-24H,7,9-10,14,17H2,1-2H3;3-5,7-10,13,15-16,18,23-24H,6,11-12,14,17H2,1-2H3/t24-,25+;20-,21+;2*23-,24+/m1011/s1
InChIKeyHYBFZLJGYCKBPA-NZCSEQOWSA-N
MW1735.27 g/mol
LogP20.68
Rot. Bonds20

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

2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 158621552) has the molecular formula C105H122F3N21 and a molecular weight of 1735.27 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID158621552
Molecular FormulaC105H122F3N21
Molecular Weight1735.27 g/mol
Exact Mass1734.01
IUPAC Name2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine
SMILESCc1ccc(C)c([C@@H]2CCC[C@H](c3cn4ccccc4n3)N2CCc2ccccn2)n1.Cc1cccc(CCN2[C@@H](c3cn4ccccc4n3)CCC[C@H]2c2nc(C)ccc2C)n1.Cc1cccc(CCN2[C@@H](c3cn4ccccc4n3)CCC[C@H]2c2ncccc2C)n1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CN2CCN(CC(F)(F)F)CC2)N1C
InChIInChI=1S/C27H31N5.C26H33F3N6.2C26H29N5/c1-19-13-14-21(3)29-27(19)25-11-7-10-24(23-18-31-16-5-4-12-26(31)30-23)32(25)17-15-22-9-6-8-20(2)28-22;1-19-7-6-11-30-24(19)20-8-5-9-21(32(20)2)25-22(35-12-4-3-10-23(35)31-25)17-33-13-15-34(16-14-33)18-26(27,28)29;1-19-12-13-20(2)28-26(19)24-10-7-9-23(22-18-30-16-6-4-11-25(30)29-22)31(24)17-14-21-8-3-5-15-27-21;1-19-8-7-15-27-26(19)24-12-6-11-23(22-18-30-16-4-3-13-25(30)29-22)31(24)17-14-21-10-5-9-20(2)28-21/h4-6,8-9,12-14,16,18,24-25H,7,10-11,15,17H2,1-3H3;3-4,6-7,10-12,20-21H,5,8-9,13-18H2,1-2H3;3-6,8,11-13,15-16,18,23-24H,7,9-10,14,17H2,1-2H3;3-5,7-10,13,15-16,18,23-24H,6,11-12,14,17H2,1-2H3/t24-,25+;20-,21+;2*23-,24+/m1011/s1
InChIKeyHYBFZLJGYCKBPA-NZCSEQOWSA-N
XLogP20.68
TPSA178.87 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001735.27
LogP ≤ 520.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine (CID 158621552) is 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine is Cc1ccc(C)c([C@@H]2CCC[C@H](c3cn4ccccc4n3)N2CCc2ccccn2)n1.Cc1cccc(CCN2[C@@H](c3cn4ccccc4n3)CCC[C@H]2c2nc(C)ccc2C)n1.Cc1cccc(CCN2[C@@H](c3cn4ccccc4n3)CCC[C@H]2c2ncccc2C)n1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CN2CCN(CC(F)(F)F)CC2)N1C.
What is the InChIKey of 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is HYBFZLJGYCKBPA-NZCSEQOWSA-N. The full InChI is InChI=1S/C27H31N5.C26H33F3N6.2C26H29N5/c1-19-13-14-21(3)29-27(19)25-11-7-10-24(23-18-31-16-5-4-12-26(31)30-23)32(25)17-15-22-9-6-8-20(2)28-22;1-19-7-6-11-30-24(19)20-8-5-9-21(32(20)2)25-22(35-12-4-3-10-23(35)31-25)17-33-13-15-34(16-14-33)18-26(27,28)29;1-19-12-13-20(2)28-26(19)24-10-7-9-23(22-18-30-16-6-4-11-25(30)29-22)31(24)17-14-21-8-3-5-15-27-21;1-19-8-7-15-27-26(19)24-12-6-11-23(22-18-30-16-4-3-13-25(30)29-22)31(24)17-14-21-10-5-9-20(2)28-21/h4-6,8-9,12-14,16,18,24-25H,7,10-11,15,17H2,1-3H3;3-4,6-7,10-12,20-21H,5,8-9,13-18H2,1-2H3;3-6,8,11-13,15-16,18,23-24H,7,9-10,14,17H2,1-2H3;3-5,7-10,13,15-16,18,23-24H,6,11-12,14,17H2,1-2H3/t24-,25+;20-,21+;2*23-,24+/m1011/s1.
What are the key properties of 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine?
2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 1735.27 g/mol, XLogP of 20.68, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3,6-dimethyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 158621552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).