N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide

C113H133FN26OS3+6 — CID 159761839

About N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide

N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide (PubChem CID 159761839) has the molecular formula C113H133FN26OS3+6 and a molecular weight of 1986.69 g/mol. Its IUPAC name is N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide.

Molecular Properties

• Compound Name: N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide
• PubChem CID: 159761839
• Molecular Formula: C113H133FN26OS3+6
• Molecular Weight: 1986.69 g/mol
• Exact Mass: 1985.03
• IUPAC Name: N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide
• SMILES: C[n+]1ccc2ccn(Cc3cc(/C(N)=N/C4CCCCC4)co3)c2c1.C[n+]1ccc2ccn(Cc3cc(/C(N)=N/C4CCCCC4)cs3)c2c1.C[n+]1ccc2ccn(Cc3ccc(/C(N)=N/C4CC4)cc3)c2c1.C[n+]1ccc2ccn(Cc3ccc(/C(N)=N/C4CC4)cc3F)c2c1.C[n+]1ccc2ccn(Cc3nc(/C(N)=N/C4CC4)cs3)c2c1.C[n+]1ccc2ccn(Cc3nc(/C(N)=N/C4CCCCC4)cs3)c2c1
• InChI: InChI=1S/C20H25N4O.C20H25N4S.C19H20FN4.C19H24N5S.C19H21N4.C16H18N5S/c2*1-23-9-7-15-8-10-24(19(15)13-23)12-18-11-16(14-25-18)20(21)22-17-5-3-2-4-6-17;1-23-8-6-13-7-9-24(18(13)12-23)11-15-3-2-14(10-17(15)20)19(21)22-16-4-5-16;1-23-9-7-14-8-10-24(17(14)11-23)12-18-22-16(13-25-18)19(20)21-15-5-3-2-4-6-15;1-22-10-8-15-9-11-23(18(15)13-22)12-14-2-4-16(5-3-14)19(20)21-17-6-7-17;1-20-6-4-11-5-7-21(14(11)8-20)9-15-19-13(10-22-15)16(17)18-12-2-3-12/h2*7-11,13-14,17H,2-6,12H2,1H3,(H2,21,22);2-3,6-10,12,16H,4-5,11H2,1H3,(H2,21,22);7-11,13,15H,2-6,12H2,1H3,(H2,20,21);2-5,8-11,13,17H,6-7,12H2,1H3,(H2,20,21);4-8,10,12H,2-3,9H2,1H3,(H2,17,18)/q6*+1
• InChIKey: JNDKQMYJTKVREK-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 322.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.69
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

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 N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide?

The IUPAC name of N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide (CID 159761839) is N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide.

What is the SMILES notation for N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide?

The canonical SMILES for N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide is C[n+]1ccc2ccn(Cc3cc(/C(N)=N/C4CCCCC4)co3)c2c1.C[n+]1ccc2ccn(Cc3cc(/C(N)=N/C4CCCCC4)cs3)c2c1.C[n+]1ccc2ccn(Cc3ccc(/C(N)=N/C4CC4)cc3)c2c1.C[n+]1ccc2ccn(Cc3ccc(/C(N)=N/C4CC4)cc3F)c2c1.C[n+]1ccc2ccn(Cc3nc(/C(N)=N/C4CC4)cs3)c2c1.C[n+]1ccc2ccn(Cc3nc(/C(N)=N/C4CCCCC4)cs3)c2c1.

What is the InChIKey of N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide?

The InChIKey is JNDKQMYJTKVREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N4O.C20H25N4S.C19H20FN4.C19H24N5S.C19H21N4.C16H18N5S/c2*1-23-9-7-15-8-10-24(19(15)13-23)12-18-11-16(14-25-18)20(21)22-17-5-3-2-4-6-17;1-23-8-6-13-7-9-24(18(13)12-23)11-15-3-2-14(10-17(15)20)19(21)22-16-4-5-16;1-23-9-7-14-8-10-24(17(14)11-23)12-18-22-16(13-25-18)19(20)21-15-5-3-2-4-6-15;1-22-10-8-15-9-11-23(18(15)13-22)12-14-2-4-16(5-3-14)19(20)21-17-6-7-17;1-20-6-4-11-5-7-21(14(11)8-20)9-15-19-13(10-22-15)16(17)18-12-2-3-12/h2*7-11,13-14,17H,2-6,12H2,1H3,(H2,21,22);2-3,6-10,12,16H,4-5,11H2,1H3,(H2,21,22);7-11,13,15H,2-6,12H2,1H3,(H2,20,21);2-5,8-11,13,17H,6-7,12H2,1H3,(H2,20,21);4-8,10,12H,2-3,9H2,1H3,(H2,17,18)/q6*+1.

What are the key properties of N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide?

N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide has a molecular weight of 1986.69 g/mol, XLogP of 16.51, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclohexyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;N'-cyclohexyl-5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;N'-cyclopropyl-3-fluoro-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 159761839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).