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

C99H116Cl2I3N25O11 — CID 159934456

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

4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide (PubChem CID 159934456) has the molecular formula C99H116Cl2I3N25O11 and a molecular weight of 2283.80 g/mol. Its IUPAC name is 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide
• PubChem CID: 159934456
• Molecular Formula: C99H116Cl2I3N25O11
• Molecular Weight: 2283.80 g/mol
• Exact Mass: 2281.58
• IUPAC Name: 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide
• SMILES: CC(C)Oc1nccc2c1c(-c1cc(C(=O)O)n(C(C)C)c1)nn2C.CC(C)Oc1nccc2c1c(I)nn2C.CNC(=O)c1cc(-c2nn(C)c3ccnc(OC(C)C)c23)cn1C(C)C.CNC(=O)c1cc(C2=NCc3ccnc(OC(C)C)c32)cn1C(C)C.COC(=O)c1cc(-c2nn(C)c3ccnc(OC(C)C)c23)cn1C(C)C.Clc1nccc2c1C(I)=NC2.Cn1nc(I)c2c(Cl)nccc21
• InChI: InChI=1S/C19H25N5O2.C19H24N4O3.C19H24N4O2.C18H22N4O3.C10H12IN3O.C7H5ClIN3.C7H4ClIN2/c1-11(2)24-10-13(9-15(24)18(25)20-5)17-16-14(23(6)22-17)7-8-21-19(16)26-12(3)4;1-11(2)23-10-13(9-15(23)19(24)25-6)17-16-14(22(5)21-17)7-8-20-18(16)26-12(3)4;1-11(2)23-10-14(8-15(23)18(24)20-5)17-16-13(9-22-17)6-7-21-19(16)25-12(3)4;1-10(2)22-9-12(8-14(22)18(23)24)16-15-13(21(5)20-16)6-7-19-17(15)25-11(3)4;1-6(2)15-10-8-7(4-5-12-10)14(3)13-9(8)11;1-12-4-2-3-10-6(8)5(4)7(9)11-12;8-6-5-4(1-2-10-6)3-11-7(5)9/h7-12H,1-6H3,(H,20,25);7-12H,1-6H3;6-8,10-12H,9H2,1-5H3,(H,20,24);6-11H,1-5H3,(H,23,24);4-6H,1-3H3;2-3H,1H3;1-2H,3H2
• InChIKey: OABDYLOKUGOHCE-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 391.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.80
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

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

The IUPAC name of 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide (CID 159934456) is 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide.

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

The canonical SMILES for 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide is CC(C)Oc1nccc2c1c(-c1cc(C(=O)O)n(C(C)C)c1)nn2C.CC(C)Oc1nccc2c1c(I)nn2C.CNC(=O)c1cc(-c2nn(C)c3ccnc(OC(C)C)c23)cn1C(C)C.CNC(=O)c1cc(C2=NCc3ccnc(OC(C)C)c32)cn1C(C)C.COC(=O)c1cc(-c2nn(C)c3ccnc(OC(C)C)c23)cn1C(C)C.Clc1nccc2c1C(I)=NC2.Cn1nc(I)c2c(Cl)nccc21.

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

The InChIKey is OABDYLOKUGOHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.C19H24N4O3.C19H24N4O2.C18H22N4O3.C10H12IN3O.C7H5ClIN3.C7H4ClIN2/c1-11(2)24-10-13(9-15(24)18(25)20-5)17-16-14(23(6)22-17)7-8-21-19(16)26-12(3)4;1-11(2)23-10-13(9-15(23)19(24)25-6)17-16-14(22(5)21-17)7-8-20-18(16)26-12(3)4;1-11(2)23-10-14(8-15(23)18(24)20-5)17-16-13(9-22-17)6-7-21-19(16)25-12(3)4;1-10(2)22-9-12(8-14(22)18(23)24)16-15-13(21(5)20-16)6-7-19-17(15)25-11(3)4;1-6(2)15-10-8-7(4-5-12-10)14(3)13-9(8)11;1-12-4-2-3-10-6(8)5(4)7(9)11-12;8-6-5-4(1-2-10-6)3-11-7(5)9/h7-12H,1-6H3,(H,20,25);7-12H,1-6H3;6-8,10-12H,9H2,1-5H3,(H,20,24);6-11H,1-5H3,(H,23,24);4-6H,1-3H3;2-3H,1H3;1-2H,3H2.

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

4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide has a molecular weight of 2283.80 g/mol, XLogP of 20.24, 22 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-3-iodo-1H-pyrrolo[3,4-c]pyridine;3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine;N-methyl-4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide;methyl 4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylate;4-(1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridin-3-yl)-1-propan-2-ylpyrrole-2-carboxylic acid;N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 159934456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).