N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide

C132H161N36O4S2+7 — CID 158642218

About N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide

N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide (PubChem CID 158642218) has the molecular formula C132H161N36O4S2+7 and a molecular weight of 2380.12 g/mol. Its IUPAC name is N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide.

Molecular Properties

• Compound Name: N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide
• PubChem CID: 158642218
• Molecular Formula: C132H161N36O4S2+7
• Molecular Weight: 2380.12 g/mol
• Exact Mass: 2378.29
• IUPAC Name: N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide
• SMILES: C[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/C3CCCNC3)co2)c1.C[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/C3CCCNC3)cs2)c1.C[n+]1ccc2c(ccn2Cc2ccc(C(N)=NN)cc2)c1.C[n+]1ccc2c(ccn2Cc2ccc(C(N)=NOC3CCNC3)cc2)c1.C[n+]1ccc2c(ccn2Cc2ccc(C(N)=NOC3CCNCC3)cc2)c1.C[n+]1ccc2c(ccn2Cc2ccc(C(N)=NOC3CNC3)cc2)c1.C[n+]1ccc2c(ccn2Cc2nc(/C(N)=N/C3CCCNC3)cs2)c1
• InChI: InChI=1S/C21H26N5O.C20H24N5O.C19H22N5O.C19H24N5O.C19H24N5S.C18H23N6S.C16H18N5/c1-25-12-9-20-18(15-25)8-13-26(20)14-16-2-4-17(5-3-16)21(22)24-27-19-6-10-23-11-7-19;1-24-10-8-19-17(14-24)7-11-25(19)13-15-2-4-16(5-3-15)20(21)23-26-18-6-9-22-12-18;1-23-8-7-18-16(13-23)6-9-24(18)12-14-2-4-15(5-3-14)19(20)22-25-17-10-21-11-17;2*1-23-7-5-18-14(11-23)4-8-24(18)12-17-9-15(13-25-17)19(20)22-16-3-2-6-21-10-16;1-23-7-5-16-13(10-23)4-8-24(16)11-17-22-15(12-25-17)18(19)21-14-3-2-6-20-9-14;1-20-8-7-15-14(11-20)6-9-21(15)10-12-2-4-13(5-3-12)16(17)19-18/h2-5,8-9,12-13,15,19,23H,6-7,10-11,14H2,1H3,(H2,22,24);2-5,7-8,10-11,14,18,22H,6,9,12-13H2,1H3,(H2,21,23);2-9,13,17,21H,10-12H2,1H3,(H2,20,22);2*4-5,7-9,11,13,16,21H,2-3,6,10,12H2,1H3,(H2,20,22);4-5,7-8,10,12,14,20H,2-3,6,9,11H2,1H3,(H2,19,21);2-9,11H,10,18H2,1H3,(H2,17,19)/q7*+1
• InChIKey: MVUWYQQMAMUVJZ-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 482.25 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.12
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide?

The IUPAC name of N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide (CID 158642218) is N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide.

What is the SMILES notation for N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide?

The canonical SMILES for N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide is C[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/C3CCCNC3)co2)c1.C[n+]1ccc2c(ccn2Cc2cc(/C(N)=N/C3CCCNC3)cs2)c1.C[n+]1ccc2c(ccn2Cc2ccc(C(N)=NN)cc2)c1.C[n+]1ccc2c(ccn2Cc2ccc(C(N)=NOC3CCNC3)cc2)c1.C[n+]1ccc2c(ccn2Cc2ccc(C(N)=NOC3CCNCC3)cc2)c1.C[n+]1ccc2c(ccn2Cc2ccc(C(N)=NOC3CNC3)cc2)c1.C[n+]1ccc2c(ccn2Cc2nc(/C(N)=N/C3CCCNC3)cs2)c1.

What is the InChIKey of N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide?

The InChIKey is MVUWYQQMAMUVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N5O.C20H24N5O.C19H22N5O.C19H24N5O.C19H24N5S.C18H23N6S.C16H18N5/c1-25-12-9-20-18(15-25)8-13-26(20)14-16-2-4-17(5-3-16)21(22)24-27-19-6-10-23-11-7-19;1-24-10-8-19-17(14-24)7-11-25(19)13-15-2-4-16(5-3-15)20(21)23-26-18-6-9-22-12-18;1-23-8-7-18-16(13-23)6-9-24(18)12-14-2-4-15(5-3-14)19(20)22-25-17-10-21-11-17;2*1-23-7-5-18-14(11-23)4-8-24(18)12-17-9-15(13-25-17)19(20)22-16-3-2-6-21-10-16;1-23-7-5-16-13(10-23)4-8-24(16)11-17-22-15(12-25-17)18(19)21-14-3-2-6-20-9-14;1-20-8-7-15-14(11-20)6-9-21(15)10-12-2-4-13(5-3-12)16(17)19-18/h2-5,8-9,12-13,15,19,23H,6-7,10-11,14H2,1H3,(H2,22,24);2-5,7-8,10-11,14,18,22H,6,9,12-13H2,1H3,(H2,21,23);2-9,13,17,21H,10-12H2,1H3,(H2,20,22);2*4-5,7-9,11,13,16,21H,2-3,6,10,12H2,1H3,(H2,20,22);4-5,7-8,10,12,14,20H,2-3,6,9,11H2,1H3,(H2,19,21);2-9,11H,10,18H2,1H3,(H2,17,19)/q7*+1.

What are the key properties of N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide?

N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide has a molecular weight of 2380.12 g/mol, XLogP of 10.66, 30 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N'-amino-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;N'-(azetidin-3-yloxy)-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]benzenecarboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-4-yloxybenzenecarboximidamide;2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide;4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-pyrrolidin-3-yloxybenzenecarboximidamide is sourced from PubChem (CID 158642218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).