2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine

C104H83F4N16OS+ — CID 158691264

IUPAC2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESC1=C(c2cc3ccccn3n2)CCCC1.C1=CC2C=C(c3ccccc3)N=[N+]2C=C1.COc1ccn2c(-c3cccc(C(F)(F)F)c3)ncc2c1.Fc1ccc2c(-c3ccccc3)ncn2c1.c1ccc(-c2cc3ccccn3n2)cc1.c1ccc(-c2ncc3ccccn23)cc1.c1ccc(-c2ncn3ccccc23)cc1.c1csc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C15H11F3N2O.C13H9FN2.2C13H10N2.C13H14N2.C13H11N2.C13H10N2.C11H8N2S/c1-21-13-5-6-20-12(8-13)9-19-14(20)10-3-2-4-11(7-10)15(16,17)18;14-11-6-7-12-13(15-9-16(12)8-11)10-4-2-1-3-5-10;1-2-6-11(7-3-1)13-12-8-4-5-9-15(12)10-14-13;1-2-6-11(7-3-1)13-14-10-12-8-4-5-9-15(12)13;3*1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13;1-2-6-13-8-9(12-11(13)5-1)10-4-3-7-14-10/h2-9H,1H3;1-9H;2*1-10H;4-6,8-10H,1-3,7H2;1-10,12H;1-10H;1-8H/q;;;;;+1;;
InChIKeyWITICUXCHFGISU-UHFFFAOYSA-N
MW1680.98 g/mol
LogP25.49
Rot. Bonds9

About 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine

2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine (PubChem CID 158691264) has the molecular formula C104H83F4N16OS+ and a molecular weight of 1680.98 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine
PubChem CID158691264
Molecular FormulaC104H83F4N16OS+
Molecular Weight1680.98 g/mol
Exact Mass1679.66
IUPAC Name2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESC1=C(c2cc3ccccn3n2)CCCC1.C1=CC2C=C(c3ccccc3)N=[N+]2C=C1.COc1ccn2c(-c3cccc(C(F)(F)F)c3)ncc2c1.Fc1ccc2c(-c3ccccc3)ncn2c1.c1ccc(-c2cc3ccccn3n2)cc1.c1ccc(-c2ncc3ccccn23)cc1.c1ccc(-c2ncn3ccccc23)cc1.c1csc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C15H11F3N2O.C13H9FN2.2C13H10N2.C13H14N2.C13H11N2.C13H10N2.C11H8N2S/c1-21-13-5-6-20-12(8-13)9-19-14(20)10-3-2-4-11(7-10)15(16,17)18;14-11-6-7-12-13(15-9-16(12)8-11)10-4-2-1-3-5-10;1-2-6-11(7-3-1)13-12-8-4-5-9-15(12)10-14-13;1-2-6-11(7-3-1)13-14-10-12-8-4-5-9-15(12)13;3*1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13;1-2-6-13-8-9(12-11(13)5-1)10-4-3-7-14-10/h2-9H,1H3;1-9H;2*1-10H;4-6,8-10H,1-3,7H2;1-10,12H;1-10H;1-8H/q;;;;;+1;;
InChIKeyWITICUXCHFGISU-UHFFFAOYSA-N
XLogP25.49
TPSA145.70 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001680.98
LogP ≤ 525.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-(Cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 157098868
N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;N-(4-methylsulfanylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 157463478
7-(2,4-Difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluoro-2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158035203
N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
CID 158071324
3-(indolizin-7-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-pyridin-4-yltriazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(4-methoxyphenyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(thieno[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158886850
CID 158978517
CID 158978517
N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine
CID 159047998
2-[[6-[2,4-Bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-6-(2-fluorophenyl)pyrrolo[2,3-c]pyridazine;3-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-6-(2-fluorophenyl)pyrrolo[3,2-d]pyrimidine;2-[[7-bromo-6-(2-fluorophenyl)pyrrolo[3,2-d]pyrimidin-3-yl]methyl]-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole;2-[[6-(2-fluorophenyl)pyrrolo[2,3-c]pyridazin-2-yl]methyl]-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 159103906
4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrimidine-4,6-diamine;5-fluoro-4-N-[4-(trifluoromethyl)phenyl]-2-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrimidine-4,6-diamine;5-methyl-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 159274557
2-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 159439522
6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1-ethylsulfonyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyridin-2-amine;4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 159595808
N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;4,5-dimethyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;4-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine
CID 159662883

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine (CID 158691264) is 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine is C1=C(c2cc3ccccn3n2)CCCC1.C1=CC2C=C(c3ccccc3)N=[N+]2C=C1.COc1ccn2c(-c3cccc(C(F)(F)F)c3)ncc2c1.Fc1ccc2c(-c3ccccc3)ncn2c1.c1ccc(-c2cc3ccccn3n2)cc1.c1ccc(-c2ncc3ccccn23)cc1.c1ccc(-c2ncn3ccccc23)cc1.c1csc(-c2cn3ccccc3n2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine?
The InChIKey is WITICUXCHFGISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O.C13H9FN2.2C13H10N2.C13H14N2.C13H11N2.C13H10N2.C11H8N2S/c1-21-13-5-6-20-12(8-13)9-19-14(20)10-3-2-4-11(7-10)15(16,17)18;14-11-6-7-12-13(15-9-16(12)8-11)10-4-2-1-3-5-10;1-2-6-11(7-3-1)13-12-8-4-5-9-15(12)10-14-13;1-2-6-11(7-3-1)13-14-10-12-8-4-5-9-15(12)13;3*1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13;1-2-6-13-8-9(12-11(13)5-1)10-4-3-7-14-10/h2-9H,1H3;1-9H;2*1-10H;4-6,8-10H,1-3,7H2;1-10,12H;1-10H;1-8H/q;;;;;+1;;.
What are the key properties of 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine?
2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine has a molecular weight of 1680.98 g/mol, XLogP of 25.49, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 158691264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).