2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine

C99H127ClF3N23O — CID 157221422

IUPAC2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC(F)(F)F)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2C=C2CCN(C)CC2)N1C
InChIInChI=1S/C26H33F3N6O.C26H33N5.C24H32N6.C23H29ClN6/c1-18-7-6-12-30-24(18)19-8-4-9-20(33(19)3)25-21(17-36-26(27,28)29)35-22(31-25)10-5-11-23(35)34-15-13-32(2)14-16-34;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;1-18-7-6-12-25-24(18)21-9-4-8-20(28(21)3)19-17-30-22(26-19)10-5-11-23(30)29-15-13-27(2)14-16-29;1-27-12-14-29(15-13-27)22-10-4-9-21-26-18(16-30(21)22)19-7-3-8-20(28(19)2)23-17(24)6-5-11-25-23/h5-7,10-12,19-20H,4,8-9,13-17H2,1-3H3;4-5,7-8,11,14-15,18,21-22H,6,9-10,12-13,16-17H2,1-3H3;5-7,10-12,17,20-21H,4,8-9,13-16H2,1-3H3;4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3/t19-,20+;21-,22+;20-,21+;19-,20+/m0011/s1
InChIKeyATAPROXLIXODBB-AFWDXNHUSA-N
MW1747.71 g/mol
LogP17.49
Rot. Bonds14

About 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine

2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine (PubChem CID 157221422) has the molecular formula C99H127ClF3N23O and a molecular weight of 1747.71 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine
PubChem CID157221422
Molecular FormulaC99H127ClF3N23O
Molecular Weight1747.71 g/mol
Exact Mass1746.02
IUPAC Name2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine
SMILESCN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC(F)(F)F)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2C=C2CCN(C)CC2)N1C
InChIInChI=1S/C26H33F3N6O.C26H33N5.C24H32N6.C23H29ClN6/c1-18-7-6-12-30-24(18)19-8-4-9-20(33(19)3)25-21(17-36-26(27,28)29)35-22(31-25)10-5-11-23(35)34-15-13-32(2)14-16-34;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;1-18-7-6-12-25-24(18)21-9-4-8-20(28(21)3)19-17-30-22(26-19)10-5-11-23(30)29-15-13-27(2)14-16-29;1-27-12-14-29(15-13-27)22-10-4-9-21-26-18(16-30(21)22)19-7-3-8-20(28(19)2)23-17(24)6-5-11-25-23/h5-7,10-12,19-20H,4,8-9,13-17H2,1-3H3;4-5,7-8,11,14-15,18,21-22H,6,9-10,12-13,16-17H2,1-3H3;5-7,10-12,17,20-21H,4,8-9,13-16H2,1-3H3;4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3/t19-,20+;21-,22+;20-,21+;19-,20+/m0011/s1
InChIKeyATAPROXLIXODBB-AFWDXNHUSA-N
XLogP17.49
TPSA165.63 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001747.71
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-2-yl]-3-(ethoxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424628
3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424768
3-(ethoxymethyl)-5-(4-ethylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424781
3-(ethoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 146555153
3-(methoxymethyl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 146555154
3-(5-Chloro-2-fluorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152430
3-(4-Chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152458
3-(2-Chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152484
3-(2-Chloro-5-fluorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152487
3-(3-Chlorophenyl)-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152489
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
2-[(2R,6S)-1-methyl-6-(3-methylpyridin-2-yl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)-3-(trifluoromethoxymethyl)imidazo[1,2-a]pyridine
CID 146555338

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine (CID 157221422) is 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine is CN1CCN(c2cccc3nc([C@H]4CCC[C@@H](c5ncccc5Cl)N4C)cn23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2cn3c(N4CCN(C)CC4)cccc3n2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)n3c2COC(F)(F)F)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2C=C2CCN(C)CC2)N1C.
What is the InChIKey of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine?
The InChIKey is ATAPROXLIXODBB-AFWDXNHUSA-N. The full InChI is InChI=1S/C26H33F3N6O.C26H33N5.C24H32N6.C23H29ClN6/c1-18-7-6-12-30-24(18)19-8-4-9-20(33(19)3)25-21(17-36-26(27,28)29)35-22(31-25)10-5-11-23(35)34-15-13-32(2)14-16-34;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;1-18-7-6-12-25-24(18)21-9-4-8-20(28(21)3)19-17-30-22(26-19)10-5-11-23(30)29-15-13-27(2)14-16-29;1-27-12-14-29(15-13-27)22-10-4-9-21-26-18(16-30(21)22)19-7-3-8-20(28(19)2)23-17(24)6-5-11-25-23/h5-7,10-12,19-20H,4,8-9,13-17H2,1-3H3;4-5,7-8,11,14-15,18,21-22H,6,9-10,12-13,16-17H2,1-3H3;5-7,10-12,17,20-21H,4,8-9,13-16H2,1-3H3;4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3/t19-,20+;21-,22+;20-,21+;19-,20+/m0011/s1.
What are the key properties of 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine?
2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine has a molecular weight of 1747.71 g/mol, XLogP of 17.49, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(3-chloro-2-pyridinyl)-1-methylpiperidin-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-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;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;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-methylpiperidin-4-ylidene)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 157221422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).