6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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

C52H55ClF8N8O3 — CID 162094591

IUPAC6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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
SMILESCc1cc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)ccc1F.Cc1cc(C2CCc3nc(C(=O)O)cn3C2)ccc1F.Cl.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C26H26F4N4O.C15H15FN2O2.C11H13F3N2.ClH/c1-17-13-18(5-7-22(17)27)19-6-8-24-31-23(16-34(24)15-19)25(35)33-11-9-32(10-12-33)21-4-2-3-20(14-21)26(28,29)30;1-9-6-10(2-4-12(9)16)11-3-5-14-17-13(15(19)20)8-18(14)7-11;12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h2-5,7,13-14,16,19H,6,8-12,15H2,1H3;2,4,6,8,11H,3,5,7H2,1H3,(H,19,20);1-3,8,15H,4-7H2;1H
InChIKeyLRZPRWVPKUFWAI-UHFFFAOYSA-N
MW1027.50 g/mol
LogP10.34
Rot. Bonds6

About 6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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 162094591) has the molecular formula C52H55ClF8N8O3 and a molecular weight of 1027.50 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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 CID162094591
Molecular FormulaC52H55ClF8N8O3
Molecular Weight1027.50 g/mol
Exact Mass1026.40
IUPAC Name6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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
SMILESCc1cc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)ccc1F.Cc1cc(C2CCc3nc(C(=O)O)cn3C2)ccc1F.Cl.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C26H26F4N4O.C15H15FN2O2.C11H13F3N2.ClH/c1-17-13-18(5-7-22(17)27)19-6-8-24-31-23(16-34(24)15-19)25(35)33-11-9-32(10-12-33)21-4-2-3-20(14-21)26(28,29)30;1-9-6-10(2-4-12(9)16)11-3-5-14-17-13(15(19)20)8-18(14)7-11;12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h2-5,7,13-14,16,19H,6,8-12,15H2,1H3;2,4,6,8,11H,3,5,7H2,1H3,(H,19,20);1-3,8,15H,4-7H2;1H
InChIKeyLRZPRWVPKUFWAI-UHFFFAOYSA-N
XLogP10.34
TPSA111.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.50
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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

N-(2,2-difluoroethyl)-6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 122478588
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 157810433
methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 157831205
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
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
4-[6-(4-Fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 158445405
8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 158503217
8-amino-6-(3-fluorophenyl)-N,N-dimethyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 160469790
8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-N-(oxolan-3-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 161662061
2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 162149536
2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
CID 167666153
1-(imidazo[1,2-a]pyridine-3-carbonyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide;imidazo[1,2-a]pyridine-3-carboxylic acid
CID 174187524

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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 162094591) is 6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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 Cc1cc(C2CCc3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cn3C2)ccc1F.Cc1cc(C2CCc3nc(C(=O)O)cn3C2)ccc1F.Cl.FC(F)(F)c1cccc(N2CCNCC2)c1.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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 LRZPRWVPKUFWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N4O.C15H15FN2O2.C11H13F3N2.ClH/c1-17-13-18(5-7-22(17)27)19-6-8-24-31-23(16-34(24)15-19)25(35)33-11-9-32(10-12-33)21-4-2-3-20(14-21)26(28,29)30;1-9-6-10(2-4-12(9)16)11-3-5-14-17-13(15(19)20)8-18(14)7-11;12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h2-5,7,13-14,16,19H,6,8-12,15H2,1H3;2,4,6,8,11H,3,5,7H2,1H3,(H,19,20);1-3,8,15H,4-7H2;1H.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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 1027.50 g/mol, XLogP of 10.34, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;[6-(4-fluoro-3-methylphenyl)-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 162094591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).