6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride

C56H65ClF6N8O5 — CID 158336124

IUPAC6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCOc1c(C)cc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)cc1C.COc1c(C)cc(C2CCc3nc(C(=O)O)cn3C2)cc1C.Cl.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C28H31F3N4O2.C17H20N2O3.C11H13F3N2.ClH/c1-18-13-21(14-19(2)26(18)37-3)20-7-8-25-32-24(17-35(25)16-20)27(36)34-11-9-33(10-12-34)23-6-4-5-22(15-23)28(29,30)31;1-10-6-13(7-11(2)16(10)22-3)12-4-5-15-18-14(17(20)21)9-19(15)8-12;12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h4-6,13-15,17,20H,7-12,16H2,1-3H3;6-7,9,12H,4-5,8H2,1-3H3,(H,20,21);1-3,8,15H,4-7H2;1H
InChIKeyLANJKFXFXIPPIB-UHFFFAOYSA-N
MW1079.63 g/mol
LogP10.69
Rot. Bonds8

About 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride

6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 158336124) has the molecular formula C56H65ClF6N8O5 and a molecular weight of 1079.63 g/mol. Its IUPAC name is 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID158336124
Molecular FormulaC56H65ClF6N8O5
Molecular Weight1079.63 g/mol
Exact Mass1078.47
IUPAC Name6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCOc1c(C)cc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)cc1C.COc1c(C)cc(C2CCc3nc(C(=O)O)cn3C2)cc1C.Cl.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C28H31F3N4O2.C17H20N2O3.C11H13F3N2.ClH/c1-18-13-21(14-19(2)26(18)37-3)20-7-8-25-32-24(17-35(25)16-20)27(36)34-11-9-33(10-12-34)23-6-4-5-22(15-23)28(29,30)31;1-10-6-13(7-11(2)16(10)22-3)12-4-5-15-18-14(17(20)21)9-19(15)8-12;12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h4-6,13-15,17,20H,7-12,16H2,1-3H3;6-7,9,12H,4-5,8H2,1-3H3,(H,20,21);1-3,8,15H,4-7H2;1H
InChIKeyLANJKFXFXIPPIB-UHFFFAOYSA-N
XLogP10.69
TPSA130.22 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.63
LogP ≤ 510.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride with MolForge

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Related Compounds

[6-(4-Methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]{4-[3-(trifluoromethyl)phenyl]piperazino}methanone
CID 44197706
2-[4-[5-[[4-[4-methoxy-3-(trifluoromethyl)phenyl]-3-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]carbamoyl]pyrazin-2-yl]piperazin-1-yl]acetic acid
CID 139550597
3-[4-[5-[[4-[4-methoxy-3-(trifluoromethyl)phenyl]-3-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]carbamoyl]pyrazin-2-yl]piperazin-1-yl]propanoic acid
CID 139550958
2-[4-[5-[[4-[4-methoxy-3-(trifluoromethyl)phenyl]-3-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]carbamoyl]pyrazin-2-yl]piperazin-1-yl]acetic acid;trihydrochloride
CID 153347753
1-[5-[[3-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]carbamoyl]pyrazin-2-yl]piperidine-4-carboxylic acid;dihydrochloride
CID 153347760
3-[4-[5-[[4-[4-methoxy-3-(trifluoromethyl)phenyl]-3-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]carbamoyl]pyrazin-2-yl]piperazin-1-yl]propanoic acid;trihydrochloride
CID 153347771
1-[[2-methoxy-4-[(E)-2-[2-methyl-3-[2-methyl-3-[(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)amino]phenyl]phenyl]ethenyl]-5-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 155308367
Chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158415321
6-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 158416540
7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158994627
5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158994629
imidazo[1,2-a]pyridine-2-carboxylic acid;N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
CID 159250551

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 158336124) is 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is COc1c(C)cc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)cc1C.COc1c(C)cc(C2CCc3nc(C(=O)O)cn3C2)cc1C.Cl.FC(F)(F)c1cccc(N2CCNCC2)c1.
What is the InChIKey of 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is LANJKFXFXIPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O2.C17H20N2O3.C11H13F3N2.ClH/c1-18-13-21(14-19(2)26(18)37-3)20-7-8-25-32-24(17-35(25)16-20)27(36)34-11-9-33(10-12-34)23-6-4-5-22(15-23)28(29,30)31;1-10-6-13(7-11(2)16(10)22-3)12-4-5-15-18-14(17(20)21)9-19(15)8-12;12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h4-6,13-15,17,20H,7-12,16H2,1-3H3;6-7,9,12H,4-5,8H2,1-3H3,(H,20,21);1-3,8,15H,4-7H2;1H.
What are the key properties of 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 1079.63 g/mol, XLogP of 10.69, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 158336124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).