N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide

C118H129ClF2N37O8S2+7 — CID 158428764

About N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide

N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide (PubChem CID 158428764) has the molecular formula C118H129ClF2N37O8S2+7 and a molecular weight of 2331.16 g/mol. Its IUPAC name is N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide.

Molecular Properties

• Compound Name: N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide
• PubChem CID: 158428764
• Molecular Formula: C118H129ClF2N37O8S2+7
• Molecular Weight: 2331.16 g/mol
• Exact Mass: 2328.99
• IUPAC Name: N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide
• SMILES: CC(=O)NN=C(N)c1cc(F)c(Cn2ccc3c[n+](C)ccc32)c(Cl)c1.CC(=O)NN=C(N)c1ccc(Cn2ccc3c[n+](C)ccc32)c(F)c1.CC(=O)NN=C(N)c1ccc(Cn2ccc3c[n+](C)ccc32)cc1.CC(=O)NN=C(N)c1ccc(Cn2ncc3c[n+](C)ccc32)cc1.CC(=O)NN=C(N)c1coc(Cn2ccc3c[n+](C)ccc32)c1.CC(=O)NN=C(N)c1csc(Cn2ccc3c[n+](C)ccc32)c1.CC(=O)NN=C(N)c1csc(Cn2ncc3c[n+](C)ccc32)c1
• InChI: InChI=1S/C18H17ClFN5O.C18H18FN5O.C18H19N5O.C17H18N6O.C16H17N5O2.C16H17N5OS.C15H16N6OS/c1-11(26)22-23-18(21)13-7-15(19)14(16(20)8-13)10-25-6-3-12-9-24(2)5-4-17(12)25;1-12(25)21-22-18(20)13-3-4-14(16(19)9-13)11-24-8-5-15-10-23(2)7-6-17(15)24;1-13(24)20-21-18(19)15-5-3-14(4-6-15)11-23-10-7-16-12-22(2)9-8-17(16)23;1-12(24)20-21-17(18)14-5-3-13(4-6-14)10-23-16-7-8-22(2)11-15(16)9-19-23;2*1-11(22)18-19-16(17)13-7-14(23-10-13)9-21-6-3-12-8-20(2)5-4-15(12)21;1-10(22)18-19-15(16)11-5-13(23-9-11)8-21-14-3-4-20(2)7-12(14)6-17-21/h3-9H,10H2,1-2H3,(H2-,21,22,23,26);3-10H,11H2,1-2H3,(H2-,20,21,22,25);3-10,12H,11H2,1-2H3,(H2-,19,20,21,24);3-9,11H,10H2,1-2H3,(H2-,18,20,21,24);2*3-8,10H,9H2,1-2H3,(H2-,17,18,19,22);3-7,9H,8H2,1-2H3,(H2-,16,18,19,22)/p+7
• InChIKey: RRMBNQWTELYALD-UHFFFAOYSA-U
• XLogP: 8.33
• TPSA: 572.95 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.16
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'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-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide?

The IUPAC name of N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide (CID 158428764) is N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide.

What is the SMILES notation for N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide?

The canonical SMILES for N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide is CC(=O)NN=C(N)c1cc(F)c(Cn2ccc3c[n+](C)ccc32)c(Cl)c1.CC(=O)NN=C(N)c1ccc(Cn2ccc3c[n+](C)ccc32)c(F)c1.CC(=O)NN=C(N)c1ccc(Cn2ccc3c[n+](C)ccc32)cc1.CC(=O)NN=C(N)c1ccc(Cn2ncc3c[n+](C)ccc32)cc1.CC(=O)NN=C(N)c1coc(Cn2ccc3c[n+](C)ccc32)c1.CC(=O)NN=C(N)c1csc(Cn2ccc3c[n+](C)ccc32)c1.CC(=O)NN=C(N)c1csc(Cn2ncc3c[n+](C)ccc32)c1.

What is the InChIKey of N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide?

The InChIKey is RRMBNQWTELYALD-UHFFFAOYSA-U. The full InChI is InChI=1S/C18H17ClFN5O.C18H18FN5O.C18H19N5O.C17H18N6O.C16H17N5O2.C16H17N5OS.C15H16N6OS/c1-11(26)22-23-18(21)13-7-15(19)14(16(20)8-13)10-25-6-3-12-9-24(2)5-4-17(12)25;1-12(25)21-22-18(20)13-3-4-14(16(19)9-13)11-24-8-5-15-10-23(2)7-6-17(15)24;1-13(24)20-21-18(19)15-5-3-14(4-6-15)11-23-10-7-16-12-22(2)9-8-17(16)23;1-12(24)20-21-17(18)14-5-3-13(4-6-14)10-23-16-7-8-22(2)11-15(16)9-19-23;2*1-11(22)18-19-16(17)13-7-14(23-10-13)9-21-6-3-12-8-20(2)5-4-15(12)21;1-10(22)18-19-15(16)11-5-13(23-9-11)8-21-14-3-4-20(2)7-12(14)6-17-21/h3-9H,10H2,1-2H3,(H2-,21,22,23,26);3-10H,11H2,1-2H3,(H2-,20,21,22,25);3-10,12H,11H2,1-2H3,(H2-,19,20,21,24);3-9,11H,10H2,1-2H3,(H2-,18,20,21,24);2*3-8,10H,9H2,1-2H3,(H2-,17,18,19,22);3-7,9H,8H2,1-2H3,(H2-,16,18,19,22)/p+7.

What are the key properties of N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide?

N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide has a molecular weight of 2331.16 g/mol, XLogP of 8.33, 28 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[amino-[3-chloro-5-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[3-fluoro-4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrazolo[4,5-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]furan-3-yl]methylidene]amino]acetamide;N-[[amino-[4-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]phenyl]methylidene]amino]acetamide;N-[[amino-[5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]thiophen-3-yl]methylidene]amino]acetamide is sourced from PubChem (CID 158428764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).