N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide)

C104H124FN35S4+6 — CID 160577441

About N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide)

N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide) (PubChem CID 160577441) has the molecular formula C104H124FN35S4+6 and a molecular weight of 2011.65 g/mol. Its IUPAC name is N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide).

Molecular Properties

• Compound Name: N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide)
• PubChem CID: 160577441
• Molecular Formula: C104H124FN35S4+6
• Molecular Weight: 2011.65 g/mol
• Exact Mass: 2009.96
• IUPAC Name: N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide)
• SMILES: C[n+]1ccc2cnn(Cc3cc(/C(N)=N/C4CCCNC4)cs3)c2c1.C[n+]1ccc2cnn(Cc3cc(/C(N)=N/C4CCCNC4)cs3)c2c1.C[n+]1ccc2cnn(Cc3ccc(/C(N)=N/C4CC4)cc3)c2c1.C[n+]1ccc2cnn(Cc3ccc(/C(N)=N/C4CC4)cc3F)c2c1.C[n+]1ccc2cnn(Cc3nc(/C(N)=N/C4CC4)cs3)c2c1.C[n+]1ccc2cnn(Cc3nc(/C(N)=N/C4CCCNC4)cs3)c2c1
• InChI: InChI=1S/C18H19FN5.2C18H23N6S.C18H20N5.C17H22N7S.C15H17N6S/c1-23-7-6-13-9-21-24(17(13)11-23)10-14-3-2-12(8-16(14)19)18(20)22-15-4-5-15;2*1-23-6-4-13-8-21-24(17(13)11-23)10-16-7-14(12-25-16)18(19)22-15-3-2-5-20-9-15;1-22-9-8-15-10-20-23(17(15)12-22)11-13-2-4-14(5-3-13)18(19)21-16-6-7-16;1-23-6-4-12-7-20-24(15(12)9-23)10-16-22-14(11-25-16)17(18)21-13-3-2-5-19-8-13;1-20-5-4-10-6-17-21(13(10)7-20)8-14-19-12(9-22-14)15(16)18-11-2-3-11/h2-3,6-9,11,15H,4-5,10H2,1H3,(H2,20,22);2*4,6-8,11-12,15,20H,2-3,5,9-10H2,1H3,(H2,19,22);2-5,8-10,12,16H,6-7,11H2,1H3,(H2,19,21);4,6-7,9,11,13,19H,2-3,5,8,10H2,1H3,(H2,18,21);4-7,9,11H,2-3,8H2,1H3,(H2,16,18)/q6*+1
• InChIKey: AJGVGRDFVKRIIQ-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 422.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2011.65
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

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'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide)?

The IUPAC name of N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide) (CID 160577441) is N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide).

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

The canonical SMILES for N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide) is C[n+]1ccc2cnn(Cc3cc(/C(N)=N/C4CCCNC4)cs3)c2c1.C[n+]1ccc2cnn(Cc3cc(/C(N)=N/C4CCCNC4)cs3)c2c1.C[n+]1ccc2cnn(Cc3ccc(/C(N)=N/C4CC4)cc3)c2c1.C[n+]1ccc2cnn(Cc3ccc(/C(N)=N/C4CC4)cc3F)c2c1.C[n+]1ccc2cnn(Cc3nc(/C(N)=N/C4CC4)cs3)c2c1.C[n+]1ccc2cnn(Cc3nc(/C(N)=N/C4CCCNC4)cs3)c2c1.

What is the InChIKey of N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide)?

The InChIKey is AJGVGRDFVKRIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN5.2C18H23N6S.C18H20N5.C17H22N7S.C15H17N6S/c1-23-7-6-13-9-21-24(17(13)11-23)10-14-3-2-12(8-16(14)19)18(20)22-15-4-5-15;2*1-23-6-4-13-8-21-24(17(13)11-23)10-16-7-14(12-25-16)18(19)22-15-3-2-5-20-9-15;1-22-9-8-15-10-20-23(17(15)12-22)11-13-2-4-14(5-3-13)18(19)21-16-6-7-16;1-23-6-4-12-7-20-24(15(12)9-23)10-16-22-14(11-25-16)17(18)21-13-3-2-5-19-8-13;1-20-5-4-10-6-17-21(13(10)7-20)8-14-19-12(9-22-14)15(16)18-11-2-3-11/h2-3,6-9,11,15H,4-5,10H2,1H3,(H2,20,22);2*4,6-8,11-12,15,20H,2-3,5,9-10H2,1H3,(H2,19,22);2-5,8-10,12,16H,6-7,11H2,1H3,(H2,19,21);4,6-7,9,11,13,19H,2-3,5,8,10H2,1H3,(H2,18,21);4-7,9,11H,2-3,8H2,1H3,(H2,16,18)/q6*+1.

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

N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide) has a molecular weight of 2011.65 g/mol, XLogP of 8.60, 24 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclopropyl-3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]benzenecarboximidamide;N'-cyclopropyl-2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazole-4-carboximidamide;2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;bis(5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-N'-piperidin-3-ylthiophene-3-carboximidamide) is sourced from PubChem (CID 160577441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).