4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline

C181H187ClN28O5S2 — CID 158684215

IUPAC4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline
SMILESCN1CCC[C@H]1c1cnc(Cl)cc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2[nH]1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2cn1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2n1N(C)C.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2s1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2[nH]1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2s1.COc1cc(-c2cc3ccccc3o2)c([C@@H]2CCCN2C)cn1
InChIInChI=1S/C20H24N4.C19H19N3.C19H20N2O2.C18H17ClN2O.C18H19N3.C18H18N2O.C18H18N2S.C17H18N4.C17H17N3O.C17H17N3S/c1-22(2)24-18-8-5-4-7-15(18)13-20(24)16-10-11-21-14-17(16)19-9-6-12-23(19)3;1-22-10-4-7-19(22)17-13-20-9-8-16(17)18-11-14-5-2-3-6-15(14)12-21-18;1-21-9-5-7-16(21)15-12-20-19(22-2)11-14(15)18-10-13-6-3-4-8-17(13)23-18;1-21-8-4-6-15(21)14-11-20-18(19)10-13(14)17-9-12-5-2-3-7-16(12)22-17;1-21-10-4-7-18(21)15-12-19-9-8-14(15)17-11-13-5-2-3-6-16(13)20-17;2*1-20-10-4-6-16(20)15-12-19-9-8-14(15)18-11-13-5-2-3-7-17(13)21-18;1-21-10-4-7-16(21)13-11-18-9-8-12(13)17-19-14-5-2-3-6-15(14)20-17;2*1-20-10-4-6-15(20)13-11-18-9-8-12(13)17-19-14-5-2-3-7-16(14)21-17/h4-5,7-8,10-11,13-14,19H,6,9,12H2,1-3H3;2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3;3-4,6,8,10-12,16H,5,7,9H2,1-2H3;2-3,5,7,9-11,15H,4,6,8H2,1H3;2-3,5-6,8-9,11-12,18,20H,4,7,10H2,1H3;2*2-3,5,7-9,11-12,16H,4,6,10H2,1H3;2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,19,20);2*2-3,5,7-9,11,15H,4,6,10H2,1H3/t2*19-;16-;15-;18-;3*16-;2*15-/m0000000000/s1
InChIKeyIFNHRROFJSBIEB-GZXAQXMOSA-N
MW2934.26 g/mol
LogP41.08
Rot. Bonds22

About 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline

4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline (PubChem CID 158684215) has the molecular formula C181H187ClN28O5S2 and a molecular weight of 2934.26 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline
PubChem CID158684215
Molecular FormulaC181H187ClN28O5S2
Molecular Weight2934.26 g/mol
Exact Mass2931.44
IUPAC Name4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline
SMILESCN1CCC[C@H]1c1cnc(Cl)cc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2[nH]1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2cn1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2n1N(C)C.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2s1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2[nH]1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2s1.COc1cc(-c2cc3ccccc3o2)c([C@@H]2CCCN2C)cn1
InChIInChI=1S/C20H24N4.C19H19N3.C19H20N2O2.C18H17ClN2O.C18H19N3.C18H18N2O.C18H18N2S.C17H18N4.C17H17N3O.C17H17N3S/c1-22(2)24-18-8-5-4-7-15(18)13-20(24)16-10-11-21-14-17(16)19-9-6-12-23(19)3;1-22-10-4-7-19(22)17-13-20-9-8-16(17)18-11-14-5-2-3-6-15(14)12-21-18;1-21-9-5-7-16(21)15-12-20-19(22-2)11-14(15)18-10-13-6-3-4-8-17(13)23-18;1-21-8-4-6-15(21)14-11-20-18(19)10-13(14)17-9-12-5-2-3-7-16(12)22-17;1-21-10-4-7-18(21)15-12-19-9-8-14(15)17-11-13-5-2-3-6-16(13)20-17;2*1-20-10-4-6-16(20)15-12-19-9-8-14(15)18-11-13-5-2-3-7-17(13)21-18;1-21-10-4-7-16(21)13-11-18-9-8-12(13)17-19-14-5-2-3-6-15(14)20-17;2*1-20-10-4-6-15(20)13-11-18-9-8-12(13)17-19-14-5-2-3-7-16(14)21-17/h4-5,7-8,10-11,13-14,19H,6,9,12H2,1-3H3;2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3;3-4,6,8,10-12,16H,5,7,9H2,1-2H3;2-3,5,7,9-11,15H,4,6,8H2,1H3;2-3,5-6,8-9,11-12,18,20H,4,7,10H2,1H3;2*2-3,5,7-9,11-12,16H,4,6,10H2,1H3;2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,19,20);2*2-3,5,7-9,11,15H,4,6,10H2,1H3/t2*19-;16-;15-;18-;3*16-;2*15-/m0000000000/s1
InChIKeyIFNHRROFJSBIEB-GZXAQXMOSA-N
XLogP41.08
TPSA314.40 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002934.26
LogP ≤ 541.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline with MolForge

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Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
3-(1,3-benzoxazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1-methylbenzimidazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-5-yl)propan-1-one;[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 160394205
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
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bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 162116184
2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-7-pyrazin-2-yl-6-pyridin-2-yl-5-pyrimidin-2-ylquinolin-2-yl]-1,3-benzoxazole
CID 141055142
2-[6-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-yl)-3-indolizin-1-yl-1-quinolin-2-ylisoquinolin-4-yl]-1,3-benzoxazole
CID 141099588

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline (CID 158684215) is 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline is CN1CCC[C@H]1c1cnc(Cl)cc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2[nH]1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2cn1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2n1N(C)C.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1cc2ccccc2s1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2[nH]1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2o1.CN1CCC[C@H]1c1cnccc1-c1nc2ccccc2s1.COc1cc(-c2cc3ccccc3o2)c([C@@H]2CCCN2C)cn1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline?
The InChIKey is IFNHRROFJSBIEB-GZXAQXMOSA-N. The full InChI is InChI=1S/C20H24N4.C19H19N3.C19H20N2O2.C18H17ClN2O.C18H19N3.C18H18N2O.C18H18N2S.C17H18N4.C17H17N3O.C17H17N3S/c1-22(2)24-18-8-5-4-7-15(18)13-20(24)16-10-11-21-14-17(16)19-9-6-12-23(19)3;1-22-10-4-7-19(22)17-13-20-9-8-16(17)18-11-14-5-2-3-6-15(14)12-21-18;1-21-9-5-7-16(21)15-12-20-19(22-2)11-14(15)18-10-13-6-3-4-8-17(13)23-18;1-21-8-4-6-15(21)14-11-20-18(19)10-13(14)17-9-12-5-2-3-7-16(12)22-17;1-21-10-4-7-18(21)15-12-19-9-8-14(15)17-11-13-5-2-3-6-16(13)20-17;2*1-20-10-4-6-16(20)15-12-19-9-8-14(15)18-11-13-5-2-3-7-17(13)21-18;1-21-10-4-7-16(21)13-11-18-9-8-12(13)17-19-14-5-2-3-6-15(14)20-17;2*1-20-10-4-6-15(20)13-11-18-9-8-12(13)17-19-14-5-2-3-7-16(14)21-17/h4-5,7-8,10-11,13-14,19H,6,9,12H2,1-3H3;2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3;3-4,6,8,10-12,16H,5,7,9H2,1-2H3;2-3,5,7,9-11,15H,4,6,8H2,1H3;2-3,5-6,8-9,11-12,18,20H,4,7,10H2,1H3;2*2-3,5,7-9,11-12,16H,4,6,10H2,1H3;2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,19,20);2*2-3,5,7-9,11,15H,4,6,10H2,1H3/t2*19-;16-;15-;18-;3*16-;2*15-/m0000000000/s1.
What are the key properties of 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline?
4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline has a molecular weight of 2934.26 g/mol, XLogP of 41.08, 22 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;N,N-dimethyl-2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]indol-1-amine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzothiazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-benzoxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]isoquinoline is sourced from PubChem (CID 158684215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).