N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide

C96H109N27O4S2+6 — CID 160943131

About N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide

N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide (PubChem CID 160943131) has the molecular formula C96H109N27O4S2+6 and a molecular weight of 1769.25 g/mol. Its IUPAC name is N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide.

Molecular Properties

• Compound Name: N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide
• PubChem CID: 160943131
• Molecular Formula: C96H109N27O4S2+6
• Molecular Weight: 1769.25 g/mol
• Exact Mass: 1767.86
• IUPAC Name: N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide
• SMILES: C[n+]1ccc2cnn(Cc3cc(/C(N)=N/C4CC4)co3)c2c1.C[n+]1ccc2cnn(Cc3cc(/C(N)=N/C4CC4)cs3)c2c1.[H]/N=C(/c1coc(Cn2ccc3cc[n+](C)cc32)c1)N1CCCCC1.[H]/N=C(/c1coc(Cn2ncc3cc[n+](C)cc32)c1)N1CCCC1.[H]/N=C(\N)c1coc(Cn2ccc3cc[n+](C)cc32)c1.[H]/N=C(\N)c1csc(Cn2ccc3cc[n+](C)cc32)c1
• InChI: InChI=1S/C19H23N4O.C17H20N5O.C16H18N5O.C16H18N5S.C14H15N4O.C14H15N4S/c1-21-9-5-15-6-10-23(18(15)13-21)12-17-11-16(14-24-17)19(20)22-7-3-2-4-8-22;1-20-7-4-13-9-19-22(16(13)11-20)10-15-8-14(12-23-15)17(18)21-5-2-3-6-21;2*1-20-5-4-11-7-18-21(15(11)9-20)8-14-6-12(10-22-14)16(17)19-13-2-3-13;2*1-17-4-2-10-3-5-18(13(10)8-17)7-12-6-11(9-19-12)14(15)16/h5-6,9-11,13-14,20H,2-4,7-8,12H2,1H3;4,7-9,11-12,18H,2-3,5-6,10H2,1H3;2*4-7,9-10,13H,2-3,8H2,1H3,(H2,17,19);2*2-6,8-9H,7H2,1H3,(H3,15,16)/q6*+1/b20-19-;18-17-
• InChIKey: FHQRHWFICDXPEK-UTMTYYASSA-N
• XLogP: 11.30
• TPSA: 374.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1769.25
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

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-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide?

The IUPAC name of N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide (CID 160943131) is N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide.

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

The canonical SMILES for N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide is C[n+]1ccc2cnn(Cc3cc(/C(N)=N/C4CC4)co3)c2c1.C[n+]1ccc2cnn(Cc3cc(/C(N)=N/C4CC4)cs3)c2c1.[H]/N=C(/c1coc(Cn2ccc3cc[n+](C)cc32)c1)N1CCCCC1.[H]/N=C(/c1coc(Cn2ncc3cc[n+](C)cc32)c1)N1CCCC1.[H]/N=C(\N)c1coc(Cn2ccc3cc[n+](C)cc32)c1.[H]/N=C(\N)c1csc(Cn2ccc3cc[n+](C)cc32)c1.

What is the InChIKey of N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide?

The InChIKey is FHQRHWFICDXPEK-UTMTYYASSA-N. The full InChI is InChI=1S/C19H23N4O.C17H20N5O.C16H18N5O.C16H18N5S.C14H15N4O.C14H15N4S/c1-21-9-5-15-6-10-23(18(15)13-21)12-17-11-16(14-24-17)19(20)22-7-3-2-4-8-22;1-20-7-4-13-9-19-22(16(13)11-20)10-15-8-14(12-23-15)17(18)21-5-2-3-6-21;2*1-20-5-4-11-7-18-21(15(11)9-20)8-14-6-12(10-22-14)16(17)19-13-2-3-13;2*1-17-4-2-10-3-5-18(13(10)8-17)7-12-6-11(9-19-12)14(15)16/h5-6,9-11,13-14,20H,2-4,7-8,12H2,1H3;4,7-9,11-12,18H,2-3,5-6,10H2,1H3;2*4-7,9-10,13H,2-3,8H2,1H3,(H2,17,19);2*2-6,8-9H,7H2,1H3,(H3,15,16)/q6*+1/b20-19-;18-17-;;;;.

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

N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide has a molecular weight of 1769.25 g/mol, XLogP of 11.30, 20 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;N'-cyclopropyl-5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide;[5-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-pyrrolidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-carboximidamide;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]furan-3-yl]-piperidin-1-ylmethanimine;5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophene-3-carboximidamide is sourced from PubChem (CID 160943131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).