1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine

C169H144ClF8N34O2S+ — CID 161026274

About 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine

1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 161026274) has the molecular formula C169H144ClF8N34O2S+ and a molecular weight of 2902.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 161026274
• Molecular Formula: C169H144ClF8N34O2S+
• Molecular Weight: 2902.75 g/mol
• Exact Mass: 2900.15
• IUPAC Name: 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: COc1ccc(-c2ccc[nH]2)cc1.C[N+]1=CCc2ccccc21.Cc1ccc2c(c1)CN=C2.Cc1ccc2c(c1)N=CC2.Cc1ccnn1-c1ccccc1.Cc1cnn(-c2ccccc2)c1.Cc1nc(-c2ccccc2)no1.Clc1cccc(-n2cccn2)c1.FC(F)(F)c1cn2ccccc2n1.Fc1ccc(-c2ccccn2)cc1F.Fc1ccc(-n2cccn2)cc1.Fc1ccc(-n2ccnc2)cc1.Fc1cccc(-c2nccs2)c1.c1ccc(-c2ncccn2)cc1.c1ccc(-n2ccnc2)cc1.c1ccc2cnccc2c1.c1ccc2ncncc2c1.c1ccn2cnnc2c1.c1ccn2nnnc2c1
• InChI: InChI=1S/C11H7F2N.C11H11NO.2C10H10N2.C10H8N2.C9H7ClN2.2C9H7FN2.C9H6FNS.C9H8N2O.C9H8N2.2C9H9N.C9H10N.C9H7N.C8H5F3N2.C8H6N2.C6H5N3.C5H4N4/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-6-4-9(5-7-10)11-3-2-8-12-11;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-5-9(6-3-1)10-11-7-4-8-12-10;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-2-4-9(5-3-8)12-7-1-6-11-12;10-8-1-3-9(4-2-8)12-6-5-11-7-12;10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-4-9(5-3-1)11-7-6-10-8-11;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-8-4-5-10-9(8)6-7;1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-5(3-1)6-7-8-9/h1-7H;2-8,12H,1H3;2*2-8H,1H3;1-8H;3*1-7H;1-6H;2-6H,1H3;1-8H;2-5H,6H2,1H3;2-3,5-6H,4H2,1H3;2-5,7H,6H2,1H3;1-7H;1-5H;1-6H;1-5H;1-4H/q;;;;;;;;;;;;;+1
• InChIKey: PZUGWHPNWRSLAY-UHFFFAOYSA-N
• XLogP: 38.48
• TPSA: 379.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2902.75
LogP ≤ 5	38.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 161026274) is 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine is COc1ccc(-c2ccc[nH]2)cc1.C[N+]1=CCc2ccccc21.Cc1ccc2c(c1)CN=C2.Cc1ccc2c(c1)N=CC2.Cc1ccnn1-c1ccccc1.Cc1cnn(-c2ccccc2)c1.Cc1nc(-c2ccccc2)no1.Clc1cccc(-n2cccn2)c1.FC(F)(F)c1cn2ccccc2n1.Fc1ccc(-c2ccccn2)cc1F.Fc1ccc(-n2cccn2)cc1.Fc1ccc(-n2ccnc2)cc1.Fc1cccc(-c2nccs2)c1.c1ccc(-c2ncccn2)cc1.c1ccc(-n2ccnc2)cc1.c1ccc2cnccc2c1.c1ccc2ncncc2c1.c1ccn2cnnc2c1.c1ccn2nnnc2c1.

What is the InChIKey of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is PZUGWHPNWRSLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N.C11H11NO.2C10H10N2.C10H8N2.C9H7ClN2.2C9H7FN2.C9H6FNS.C9H8N2O.C9H8N2.2C9H9N.C9H10N.C9H7N.C8H5F3N2.C8H6N2.C6H5N3.C5H4N4/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-6-4-9(5-7-10)11-3-2-8-12-11;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-5-9(6-3-1)10-11-7-4-8-12-10;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-2-4-9(5-3-8)12-7-1-6-11-12;10-8-1-3-9(4-2-8)12-6-5-11-7-12;10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-4-9(5-3-1)11-7-6-10-8-11;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-8-4-5-10-9(8)6-7;1-10-7-6-8-4-2-3-5-9(8)10;1-2-4-9-7-10-6-5-8(9)3-1;9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-5(3-1)6-7-8-9/h1-7H;2-8,12H,1H3;2*2-8H,1H3;1-8H;3*1-7H;1-6H;2-6H,1H3;1-8H;2-5H,6H2,1H3;2-3,5-6H,4H2,1H3;2-5,7H,6H2,1H3;1-7H;1-5H;1-6H;1-5H;1-4H/q;;;;;;;;;;;;;+1;;;;;.

What are the key properties of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine?

1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 2902.75 g/mol, XLogP of 38.48, 12 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;1-(4-fluorophenyl)imidazole;1-(4-fluorophenyl)pyrazole;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 161026274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).