4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C62H71BCl2F6IN19O4 — CID 158522423

About 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158522423) has the molecular formula C62H71BCl2F6IN19O4 and a molecular weight of 1468.99 g/mol. Its IUPAC name is 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158522423
• Molecular Formula: C62H71BCl2F6IN19O4
• Molecular Weight: 1468.99 g/mol
• Exact Mass: 1467.44
• IUPAC Name: 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(C)n1cc(-c2nn(C)c3ccnc(Cl)c23)cn1.CC(C)n1cc(-c2nn(C)c3ccnc(OCC(F)(F)F)c23)cn1.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CC(C)n1cc(C2=NCc3ccnc(OCC(F)(F)F)c32)cn1.Cn1nc(I)c2c(Cl)nccc21
• InChI: InChI=1S/C15H16F3N5O.C15H15F3N4O.C13H14ClN5.C12H21BN2O2.C7H5ClIN3/c1-9(2)23-7-10(6-20-23)13-12-11(22(3)21-13)4-5-19-14(12)24-8-15(16,17)18;1-9(2)22-7-11(6-21-22)13-12-10(5-20-13)3-4-19-14(12)23-8-15(16,17)18;1-8(2)19-7-9(6-16-19)12-11-10(18(3)17-12)4-5-15-13(11)14;1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13;1-12-4-2-3-10-6(8)5(4)7(9)11-12/h4-7,9H,8H2,1-3H3;3-4,6-7,9H,5,8H2,1-2H3;4-8H,1-3H3;7-9H,1-6H3;2-3H,1H3
• InChIKey: HMJKQRPGWVOKLV-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 225.58 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1468.99
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158522423) is 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)n1cc(-c2nn(C)c3ccnc(Cl)c23)cn1.CC(C)n1cc(-c2nn(C)c3ccnc(OCC(F)(F)F)c23)cn1.CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CC(C)n1cc(C2=NCc3ccnc(OCC(F)(F)F)c32)cn1.Cn1nc(I)c2c(Cl)nccc21.

What is the InChIKey of 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is HMJKQRPGWVOKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O.C15H15F3N4O.C13H14ClN5.C12H21BN2O2.C7H5ClIN3/c1-9(2)23-7-10(6-20-23)13-12-11(22(3)21-13)4-5-19-14(12)24-8-15(16,17)18;1-9(2)22-7-11(6-21-22)13-12-10(5-20-13)3-4-19-14(12)23-8-15(16,17)18;1-8(2)19-7-9(6-16-19)12-11-10(18(3)17-12)4-5-15-13(11)14;1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13;1-12-4-2-3-10-6(8)5(4)7(9)11-12/h4-7,9H,8H2,1-3H3;3-4,6-7,9H,5,8H2,1-2H3;4-8H,1-3H3;7-9H,1-6H3;2-3H,1H3.

What are the key properties of 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1468.99 g/mol, XLogP of 13.56, 12 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridine;1-methyl-3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrazolo[4,3-c]pyridine;3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,4-c]pyridine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158522423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).