3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine

C104H140N20O — CID 158124999

IUPAC3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
SMILESCCN1CCC(Cc2c([C@H]3CCC[C@@H](c4ncccc4C)N3C)nc3ccccn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCNCC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CCCN2CCOCC2)N1C
InChIInChI=1S/C27H37N5.C26H35N5O.C26H35N5.C25H33N5/c1-4-31-17-13-21(14-18-31)19-24-27(29-25-12-5-6-16-32(24)25)23-11-7-10-22(30(23)3)26-20(2)9-8-15-28-26;1-20-8-6-13-27-25(20)21-9-5-10-22(29(21)2)26-23(31-15-4-3-12-24(31)28-26)11-7-14-30-16-18-32-19-17-30;1-19-8-7-14-27-25(19)21-9-6-10-22(30(21)3)26-23(18-20-12-16-29(2)17-13-20)31-15-5-4-11-24(31)28-26;1-18-7-6-13-27-24(18)20-8-5-9-21(29(20)2)25-22(17-19-11-14-26-15-12-19)30-16-4-3-10-23(30)28-25/h5-6,8-9,12,15-16,21-23H,4,7,10-11,13-14,17-19H2,1-3H3;3-4,6,8,12-13,15,21-22H,5,7,9-11,14,16-19H2,1-2H3;4-5,7-8,11,14-15,20-22H,6,9-10,12-13,16-18H2,1-3H3;3-4,6-7,10,13,16,19-21,26H,5,8-9,11-12,14-15,17H2,1-2H3/t22-,23+;2*21-,22+;20-,21+/m0000/s1
InChIKeyFSBFZZMNCLAQJX-RPIMKJJXSA-N
MW1686.40 g/mol
LogP18.71
Rot. Bonds19

About 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine

3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 158124999) has the molecular formula C104H140N20O and a molecular weight of 1686.40 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID158124999
Molecular FormulaC104H140N20O
Molecular Weight1686.40 g/mol
Exact Mass1685.15
IUPAC Name3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
SMILESCCN1CCC(Cc2c([C@H]3CCC[C@@H](c4ncccc4C)N3C)nc3ccccn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCNCC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CCCN2CCOCC2)N1C
InChIInChI=1S/C27H37N5.C26H35N5O.C26H35N5.C25H33N5/c1-4-31-17-13-21(14-18-31)19-24-27(29-25-12-5-6-16-32(24)25)23-11-7-10-22(30(23)3)26-20(2)9-8-15-28-26;1-20-8-6-13-27-25(20)21-9-5-10-22(29(21)2)26-23(31-15-4-3-12-24(31)28-26)11-7-14-30-16-18-32-19-17-30;1-19-8-7-14-27-25(19)21-9-6-10-22(30(21)3)26-23(18-20-12-16-29(2)17-13-20)31-15-5-4-11-24(31)28-26;1-18-7-6-13-27-24(18)20-8-5-9-21(29(20)2)25-22(17-19-11-14-26-15-12-19)30-16-4-3-10-23(30)28-25/h5-6,8-9,12,15-16,21-23H,4,7,10-11,13-14,17-19H2,1-3H3;3-4,6,8,12-13,15,21-22H,5,7,9-11,14,16-19H2,1-2H3;4-5,7-8,11,14-15,20-22H,6,9-10,12-13,16-18H2,1-3H3;3-4,6-7,10,13,16,19-21,26H,5,8-9,11-12,14-15,17H2,1-2H3/t22-,23+;2*21-,22+;20-,21+/m0000/s1
InChIKeyFSBFZZMNCLAQJX-RPIMKJJXSA-N
XLogP18.71
TPSA164.70 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.40
LogP ≤ 518.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

US9266891, III-19
CID 90161075
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 44431988
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-c]pyridin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720886
(S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 44344609
3-[2-(Cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine
CID 15954556
4-[3-(6-Cyclopropyl-3-pyridinyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380384
4-[2-Methyl-3-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380385
4-[2-Methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413400
4-[2-Methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413428
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)-N-propan-2-ylpyridin-2-amine
CID 67413560
4-[2-Methyl-3-[6-(2-methylpropyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67415193

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine (CID 158124999) is 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine is CCN1CCC(Cc2c([C@H]3CCC[C@@H](c4ncccc4C)N3C)nc3ccccn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCNCC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CCCN2CCOCC2)N1C.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is FSBFZZMNCLAQJX-RPIMKJJXSA-N. The full InChI is InChI=1S/C27H37N5.C26H35N5O.C26H35N5.C25H33N5/c1-4-31-17-13-21(14-18-31)19-24-27(29-25-12-5-6-16-32(24)25)23-11-7-10-22(30(23)3)26-20(2)9-8-15-28-26;1-20-8-6-13-27-25(20)21-9-5-10-22(29(21)2)26-23(31-15-4-3-12-24(31)28-26)11-7-14-30-16-18-32-19-17-30;1-19-8-7-14-27-25(19)21-9-6-10-22(30(21)3)26-23(18-20-12-16-29(2)17-13-20)31-15-5-4-11-24(31)28-26;1-18-7-6-13-27-24(18)20-8-5-9-21(29(20)2)25-22(17-19-11-14-26-15-12-19)30-16-4-3-10-23(30)28-25/h5-6,8-9,12,15-16,21-23H,4,7,10-11,13-14,17-19H2,1-3H3;3-4,6,8,12-13,15,21-22H,5,7,9-11,14,16-19H2,1-2H3;4-5,7-8,11,14-15,20-22H,6,9-10,12-13,16-18H2,1-3H3;3-4,6-7,10,13,16,19-21,26H,5,8-9,11-12,14-15,17H2,1-2H3/t22-,23+;2*21-,22+;20-,21+/m0000/s1.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine?
3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 1686.40 g/mol, XLogP of 18.71, 19 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;4-[3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158124999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).