[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine

C128H156N37OS4+7 — CID 158440210

About [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine

[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine (PubChem CID 158440210) has the molecular formula C128H156N37OS4+7 and a molecular weight of 2357.18 g/mol. Its IUPAC name is [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine.

Molecular Properties

• Compound Name: [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine
• PubChem CID: 158440210
• Molecular Formula: C128H156N37OS4+7
• Molecular Weight: 2357.18 g/mol
• Exact Mass: 2355.21
• IUPAC Name: [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine
• SMILES: [H]/N=C(/c1ccc(Cn2ccc3c[n+](C)ccc32)cc1)N1CCNCC1.[H]/N=C(/c1ccc(Cn2ncc3c[n+](C)ccc32)cc1)N1CCCCC1.[H]/N=C(/c1coc(Cn2ccc3c[n+](C)ccc32)c1)N1CCNCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)c1)N1CCNCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)n1)N1CCNCC1.[H]/N=C(/c1csc(Cn2ncc3c[n+](C)ccc32)c1)N1CCCCC1.[H]/N=C(/c1csc(Cn2ncc3c[n+](C)ccc32)n1)N1CCCCC1
• InChI: InChI=1S/2C20H24N5.C18H22N5O.2C18H22N5S.2C17H21N6S/c1-23-10-7-19-18(15-23)6-11-25(19)14-16-2-4-17(5-3-16)20(21)24-12-8-22-9-13-24;1-23-12-9-19-18(15-23)13-22-25(19)14-16-5-7-17(8-6-16)20(21)24-10-3-2-4-11-24;2*1-21-6-3-17-14(11-21)2-7-23(17)12-16-10-15(13-24-16)18(19)22-8-4-20-5-9-22;1-21-8-5-17-15(11-21)10-20-23(17)12-16-9-14(13-24-16)18(19)22-6-3-2-4-7-22;1-21-6-3-15-13(10-21)2-7-23(15)11-16-20-14(12-24-16)17(18)22-8-4-19-5-9-22;1-21-8-5-15-13(10-21)9-19-23(15)11-16-20-14(12-24-16)17(18)22-6-3-2-4-7-22/h2-7,10-11,15,21-22H,8-9,12-14H2,1H3;5-9,12-13,15,21H,2-4,10-11,14H2,1H3;2*2-3,6-7,10-11,13,19-20H,4-5,8-9,12H2,1H3;5,8-11,13,19H,2-4,6-7,12H2,1H3;2-3,6-7,10,12,18-19H,4-5,8-9,11H2,1H3;5,8-10,12,18H,2-4,6-7,11H2,1H3/q7*+1/b2*21-20-;3*19-18-;2*18-17-
• InChIKey: YOJQQASTUXPMEE-KTBARWBPSA-N
• XLogP: 13.77
• TPSA: 377.01 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2357.18
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

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 [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine?

The IUPAC name of [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine (CID 158440210) is [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine.

What is the SMILES notation for [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine?

The canonical SMILES for [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine is [H]/N=C(/c1ccc(Cn2ccc3c[n+](C)ccc32)cc1)N1CCNCC1.[H]/N=C(/c1ccc(Cn2ncc3c[n+](C)ccc32)cc1)N1CCCCC1.[H]/N=C(/c1coc(Cn2ccc3c[n+](C)ccc32)c1)N1CCNCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)c1)N1CCNCC1.[H]/N=C(/c1csc(Cn2ccc3c[n+](C)ccc32)n1)N1CCNCC1.[H]/N=C(/c1csc(Cn2ncc3c[n+](C)ccc32)c1)N1CCCCC1.[H]/N=C(/c1csc(Cn2ncc3c[n+](C)ccc32)n1)N1CCCCC1.

What is the InChIKey of [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine?

The InChIKey is YOJQQASTUXPMEE-KTBARWBPSA-N. The full InChI is InChI=1S/2C20H24N5.C18H22N5O.2C18H22N5S.2C17H21N6S/c1-23-10-7-19-18(15-23)6-11-25(19)14-16-2-4-17(5-3-16)20(21)24-12-8-22-9-13-24;1-23-12-9-19-18(15-23)13-22-25(19)14-16-5-7-17(8-6-16)20(21)24-10-3-2-4-11-24;2*1-21-6-3-17-14(11-21)2-7-23(17)12-16-10-15(13-24-16)18(19)22-8-4-20-5-9-22;1-21-8-5-17-15(11-21)10-20-23(17)12-16-9-14(13-24-16)18(19)22-6-3-2-4-7-22;1-21-6-3-15-13(10-21)2-7-23(15)11-16-20-14(12-24-16)17(18)22-8-4-19-5-9-22;1-21-8-5-15-13(10-21)9-19-23(15)11-16-20-14(12-24-16)17(18)22-6-3-2-4-7-22/h2-7,10-11,15,21-22H,8-9,12-14H2,1H3;5-9,12-13,15,21H,2-4,10-11,14H2,1H3;2*2-3,6-7,10-11,13,19-20H,4-5,8-9,12H2,1H3;5,8-11,13,19H,2-4,6-7,12H2,1H3;2-3,6-7,10,12,18-19H,4-5,8-9,11H2,1H3;5,8-10,12,18H,2-4,6-7,11H2,1H3/q7*+1/b2*21-20-;3*19-18-;2*18-17-.

What are the key properties of [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine?

[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine has a molecular weight of 2357.18 g/mol, XLogP of 13.77, 21 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]-piperazin-1-ylmethanimine;[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]-piperazin-1-ylmethanimine;[2-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperazin-1-ylmethanimine;[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]-piperazin-1-ylmethanimine is sourced from PubChem (CID 158440210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).