1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide
C126H129Cl2F3N34S3+8 — CID 160651816
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide
SMILESC[n+]1cccc2c1ccn2Cc1c(F)cc(C2=NCCN2)cc1Cl.C[n+]1cccc2c1ccn2Cc1ccc(C2=NCCN2)cc1.C[n+]1cccc2c1ccn2Cc1nc(C2=NCCN2)cs1.[H]/N=C(\N)c1cc(F)c(Cn2ccc3cc[n+](C)cc32)c(Cl)c1.[H]/N=C(\N)c1ccc(Cn2ccc3cc[n+](C)cc32)c(F)c1.[H]/N=C(\N)c1ccc(Cn2ccc3cc[n+](C)cc32)cc1.[H]/N=C(\N)c1csc(Cn2ccc3cc[n+](C)cc32)c1.[H]/N=C(\N)c1csc(Cn2ccc3cc[n+](C)cc32)n1
InChIInChI=1S/C18H17ClFN4.C18H19N4.C16H15ClFN4.C16H16FN4.C16H17N4.C15H16N5S.C14H15N4S.C13H14N5S/c1-23-7-2-3-17-16(23)4-8-24(17)11-13-14(19)9-12(10-15(13)20)18-21-5-6-22-18;1-21-11-2-3-17-16(21)8-12-22(17)13-14-4-6-15(7-5-14)18-19-9-10-20-18;1-21-4-2-10-3-5-22(15(10)9-21)8-12-13(17)6-11(16(19)20)7-14(12)18;1-20-6-4-11-5-7-21(15(11)10-20)9-13-3-2-12(16(18)19)8-14(13)17;1-19-8-6-13-7-9-20(15(13)11-19)10-12-2-4-14(5-3-12)16(17)18;1-19-7-2-3-13-12(19)4-8-20(13)9-14-18-11(10-21-14)15-16-5-6-17-15;1-17-4-2-10-3-5-18(13(10)8-17)7-12-6-11(9-19-12)14(15)16;1-17-4-2-9-3-5-18(11(9)6-17)7-12-16-10(8-19-12)13(14)15/h2-4,7-10H,5-6,11H2,1H3,(H,21,22);2-8,11-12H,9-10,13H2,1H3,(H,19,20);2-7,9H,8H2,1H3,(H3,19,20);2-8,10H,9H2,1H3,(H3,18,19);2-9,11H,10H2,1H3,(H3,17,18);2-4,7-8,10H,5-6,9H2,1H3,(H,16,17);2-6,8-9H,7H2,1H3,(H3,15,16);2-6,8H,7H2,1H3,(H3,14,15)/q8*+1
InChIKeyDUSOOCNVOYMNQU-UHFFFAOYSA-N
MW2343.76 g/mol
LogP15.28
Rot. Bonds24
About 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide
1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide (PubChem CID 160651816) has the molecular formula C126H129Cl2F3N34S3+8 and a molecular weight of 2343.76 g/mol. Its IUPAC name is 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide.
Molecular Properties
| Compound Name | 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide |
|---|---|
| PubChem CID | 160651816 |
| Molecular Formula | C126H129Cl2F3N34S3+8 |
| Molecular Weight | 2343.76 g/mol |
| Exact Mass | 2340.96 |
| IUPAC Name | 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide |
| SMILES | C[n+]1cccc2c1ccn2Cc1c(F)cc(C2=NCCN2)cc1Cl.C[n+]1cccc2c1ccn2Cc1ccc(C2=NCCN2)cc1.C[n+]1cccc2c1ccn2Cc1nc(C2=NCCN2)cs1.[H]/N=C(\N)c1cc(F)c(Cn2ccc3cc[n+](C)cc32)c(Cl)c1.[H]/N=C(\N)c1ccc(Cn2ccc3cc[n+](C)cc32)c(F)c1.[H]/N=C(\N)c1ccc(Cn2ccc3cc[n+](C)cc32)cc1.[H]/N=C(\N)c1csc(Cn2ccc3cc[n+](C)cc32)c1.[H]/N=C(\N)c1csc(Cn2ccc3cc[n+](C)cc32)n1 |
| InChI | InChI=1S/C18H17ClFN4.C18H19N4.C16H15ClFN4.C16H16FN4.C16H17N4.C15H16N5S.C14H15N4S.C13H14N5S/c1-23-7-2-3-17-16(23)4-8-24(17)11-13-14(19)9-12(10-15(13)20)18-21-5-6-22-18;1-21-11-2-3-17-16(21)8-12-22(17)13-14-4-6-15(7-5-14)18-19-9-10-20-18;1-21-4-2-10-3-5-22(15(10)9-21)8-12-13(17)6-11(16(19)20)7-14(12)18;1-20-6-4-11-5-7-21(15(11)10-20)9-13-3-2-12(16(18)19)8-14(13)17;1-19-8-6-13-7-9-20(15(13)11-19)10-12-2-4-14(5-3-12)16(17)18;1-19-7-2-3-13-12(19)4-8-20(13)9-14-18-11(10-21-14)15-16-5-6-17-15;1-17-4-2-10-3-5-18(13(10)8-17)7-12-6-11(9-19-12)14(15)16;1-17-4-2-9-3-5-18(11(9)6-17)7-12-16-10(8-19-12)13(14)15/h2-4,7-10H,5-6,11H2,1H3,(H,21,22);2-8,11-12H,9-10,13H2,1H3,(H,19,20);2-7,9H,8H2,1H3,(H3,19,20);2-8,10H,9H2,1H3,(H3,18,19);2-9,11H,10H2,1H3,(H3,17,18);2-4,7-8,10H,5-6,9H2,1H3,(H,16,17);2-6,8-9H,7H2,1H3,(H3,15,16);2-6,8H,7H2,1H3,(H3,14,15)/q8*+1 |
| InChIKey | DUSOOCNVOYMNQU-UHFFFAOYSA-N |
| XLogP | 15.28 |
| TPSA | 418.78 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 168 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2343.76 |
| LogP ≤ 5 | 15.28 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 24 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide?
The IUPAC name of 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide (CID 160651816) is 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide.
What is the SMILES notation for 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide?
The canonical SMILES for 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide is C[n+]1cccc2c1ccn2Cc1c(F)cc(C2=NCCN2)cc1Cl.C[n+]1cccc2c1ccn2Cc1ccc(C2=NCCN2)cc1.C[n+]1cccc2c1ccn2Cc1nc(C2=NCCN2)cs1.[H]/N=C(\N)c1cc(F)c(Cn2ccc3cc[n+](C)cc32)c(Cl)c1.[H]/N=C(\N)c1ccc(Cn2ccc3cc[n+](C)cc32)c(F)c1.[H]/N=C(\N)c1ccc(Cn2ccc3cc[n+](C)cc32)cc1.[H]/N=C(\N)c1csc(Cn2ccc3cc[n+](C)cc32)c1.[H]/N=C(\N)c1csc(Cn2ccc3cc[n+](C)cc32)n1.
What is the InChIKey of 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide?
The InChIKey is DUSOOCNVOYMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN4.C18H19N4.C16H15ClFN4.C16H16FN4.C16H17N4.C15H16N5S.C14H15N4S.C13H14N5S/c1-23-7-2-3-17-16(23)4-8-24(17)11-13-14(19)9-12(10-15(13)20)18-21-5-6-22-18;1-21-11-2-3-17-16(21)8-12-22(17)13-14-4-6-15(7-5-14)18-19-9-10-20-18;1-21-4-2-10-3-5-22(15(10)9-21)8-12-13(17)6-11(16(19)20)7-14(12)18;1-20-6-4-11-5-7-21(15(11)10-20)9-13-3-2-12(16(18)19)8-14(13)17;1-19-8-6-13-7-9-20(15(13)11-19)10-12-2-4-14(5-3-12)16(17)18;1-19-7-2-3-13-12(19)4-8-20(13)9-14-18-11(10-21-14)15-16-5-6-17-15;1-17-4-2-10-3-5-18(13(10)8-17)7-12-6-11(9-19-12)14(15)16;1-17-4-2-9-3-5-18(11(9)6-17)7-12-16-10(8-19-12)13(14)15/h2-4,7-10H,5-6,11H2,1H3,(H,21,22);2-8,11-12H,9-10,13H2,1H3,(H,19,20);2-7,9H,8H2,1H3,(H3,19,20);2-8,10H,9H2,1H3,(H3,18,19);2-9,11H,10H2,1H3,(H3,17,18);2-4,7-8,10H,5-6,9H2,1H3,(H,16,17);2-6,8-9H,7H2,1H3,(H3,15,16);2-6,8H,7H2,1H3,(H3,14,15)/q8*+1.
What are the key properties of 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide?
1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide has a molecular weight of 2343.76 g/mol, XLogP of 15.28, 24 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorophenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-chloro-5-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-(4,5-dihydro-1H-imidazol-2-yl)-2-[(4-methylpyrrolo[3,2-b]pyridin-4-ium-1-yl)methyl]-1,3-thiazole;1-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methylpyrrolo[3,2-b]pyridin-4-ium;3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide is sourced from PubChem (CID 160651816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160651816 — identifiers, structure, computed properties (public domain)
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