4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate

C82H92ClI2N23O11 — CID 162171733

About 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate

4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 162171733) has the molecular formula C82H92ClI2N23O11 and a molecular weight of 1865.05 g/mol. Its IUPAC name is 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

• Compound Name: 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate
• PubChem CID: 162171733
• Molecular Formula: C82H92ClI2N23O11
• Molecular Weight: 1865.05 g/mol
• Exact Mass: 1863.51
• IUPAC Name: 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate
• SMILES: CNC(=O)c1cc(-c2nn(C)c3ccnc(OC)c23)cn1C(C)C.CNC(=O)c1cc(C2=NCc3ccnc(OC)c32)cn1C(C)C.COC(=O)c1cc(-c2nn(C)c3ccnc(OC)c23)cn1C(C)C.COc1nccc2c1c(-c1cc(C(=O)O)n(C(C)C)c1)nn2C.COc1nccc2c1c(I)nn2C.Cn1nc(I)c2c(Cl)nccc21
• InChI: InChI=1S/C17H21N5O2.C17H20N4O3.C17H20N4O2.C16H18N4O3.C8H8IN3O.C7H5ClIN3/c1-10(2)22-9-11(8-13(22)16(23)18-3)15-14-12(21(4)20-15)6-7-19-17(14)24-5;1-10(2)21-9-11(8-13(21)17(22)24-5)15-14-12(20(3)19-15)6-7-18-16(14)23-4;1-10(2)21-9-12(7-13(21)16(22)18-3)15-14-11(8-20-15)5-6-19-17(14)23-4;1-9(2)20-8-10(7-12(20)16(21)22)14-13-11(19(3)18-14)5-6-17-15(13)23-4;1-12-5-3-4-10-8(13-2)6(5)7(9)11-12;1-12-4-2-3-10-6(8)5(4)7(9)11-12/h6-10H,1-5H3,(H,18,23);6-10H,1-5H3;5-7,9-10H,8H2,1-4H3,(H,18,22);5-9H,1-4H3,(H,21,22);3-4H,1-2H3;2-3H,1H3
• InChIKey: ZNWPQVVVYGLPEC-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 366.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.05
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate?

The IUPAC name of 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate (CID 162171733) is 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate.

What is the SMILES notation for 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate?

The canonical SMILES for 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate is CNC(=O)c1cc(-c2nn(C)c3ccnc(OC)c23)cn1C(C)C.CNC(=O)c1cc(C2=NCc3ccnc(OC)c32)cn1C(C)C.COC(=O)c1cc(-c2nn(C)c3ccnc(OC)c23)cn1C(C)C.COc1nccc2c1c(-c1cc(C(=O)O)n(C(C)C)c1)nn2C.COc1nccc2c1c(I)nn2C.Cn1nc(I)c2c(Cl)nccc21.

What is the InChIKey of 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate?

The InChIKey is ZNWPQVVVYGLPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.C17H20N4O3.C17H20N4O2.C16H18N4O3.C8H8IN3O.C7H5ClIN3/c1-10(2)22-9-11(8-13(22)16(23)18-3)15-14-12(21(4)20-15)6-7-19-17(14)24-5;1-10(2)21-9-11(8-13(21)17(22)24-5)15-14-12(20(3)19-15)6-7-18-16(14)23-4;1-10(2)21-9-12(7-13(21)16(22)18-3)15-14-11(8-20-15)5-6-19-17(14)23-4;1-9(2)20-8-10(7-12(20)16(21)22)14-13-11(19(3)18-14)5-6-17-15(13)23-4;1-12-5-3-4-10-8(13-2)6(5)7(9)11-12;1-12-4-2-3-10-6(8)5(4)7(9)11-12/h6-10H,1-5H3,(H,18,23);6-10H,1-5H3;5-7,9-10H,8H2,1-4H3,(H,18,22);5-9H,1-4H3,(H,21,22);3-4H,1-2H3;2-3H,1H3.

What are the key properties of 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate?

4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 1865.05 g/mol, XLogP of 13.91, 17 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;3-iodo-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 162171733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).