3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane

C65H70FN23O8Si2 — CID 161000086

About 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane

3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane (PubChem CID 161000086) has the molecular formula C65H70FN23O8Si2 and a molecular weight of 1376.60 g/mol. Its IUPAC name is 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane.

Molecular Properties

• Compound Name: 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane
• PubChem CID: 161000086
• Molecular Formula: C65H70FN23O8Si2
• Molecular Weight: 1376.60 g/mol
• Exact Mass: 1375.53
• IUPAC Name: 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane
• SMILES: COC(=O)c1ccc2[nH]ncc2n1.C[Si](C)(C)CCOCn1ncc2c1ccc[n+]2[O-].C[Si](C)(C)CCOCn1ncc2ncccc21.O=Cc1ccc2[nH]ncc2n1.O=Cc1ncccc1F.OCc1ccc2[nH]ncc2n1.[C-]#[N+]c1ccc2[nH]ncc2n1.c1cnc2cn[nH]c2c1
• InChI: InChI=1S/C12H19N3O2Si.C12H19N3OSi.C8H7N3O2.C7H4N4.C7H7N3O.C7H5N3O.C6H4FNO.C6H5N3/c1-18(2,3)8-7-17-10-14-11-5-4-6-15(16)12(11)9-13-14;1-17(2,3)8-7-16-10-15-12-5-4-6-13-11(12)9-14-15;1-13-8(12)6-3-2-5-7(10-6)4-9-11-5;1-8-7-3-2-5-6(10-7)4-9-11-5;2*11-4-5-1-2-6-7(9-5)3-8-10-6;7-5-2-1-3-8-6(5)4-9;1-2-5-6(7-3-1)4-8-9-5/h4-6,9H,7-8,10H2,1-3H3;4-6,9H,7-8,10H2,1-3H3;2-4H,1H3,(H,9,11);2-4H,(H,9,11);1-3,11H,4H2,(H,8,10);1-4H,(H,8,10);1-4H;1-4H,(H,8,9)
• InChIKey: TVTIAFPPYSNCNZ-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 399.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1376.60
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane?

The IUPAC name of 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane (CID 161000086) is 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane.

What is the SMILES notation for 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane?

The canonical SMILES for 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane is COC(=O)c1ccc2[nH]ncc2n1.C[Si](C)(C)CCOCn1ncc2c1ccc[n+]2[O-].C[Si](C)(C)CCOCn1ncc2ncccc21.O=Cc1ccc2[nH]ncc2n1.O=Cc1ncccc1F.OCc1ccc2[nH]ncc2n1.[C-]#[N+]c1ccc2[nH]ncc2n1.c1cnc2cn[nH]c2c1.

What is the InChIKey of 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane?

The InChIKey is TVTIAFPPYSNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2Si.C12H19N3OSi.C8H7N3O2.C7H4N4.C7H7N3O.C7H5N3O.C6H4FNO.C6H5N3/c1-18(2,3)8-7-17-10-14-11-5-4-6-15(16)12(11)9-13-14;1-17(2,3)8-7-16-10-15-12-5-4-6-13-11(12)9-14-15;1-13-8(12)6-3-2-5-7(10-6)4-9-11-5;1-8-7-3-2-5-6(10-7)4-9-11-5;2*11-4-5-1-2-6-7(9-5)3-8-10-6;7-5-2-1-3-8-6(5)4-9;1-2-5-6(7-3-1)4-8-9-5/h4-6,9H,7-8,10H2,1-3H3;4-6,9H,7-8,10H2,1-3H3;2-4H,1H3,(H,9,11);2-4H,(H,9,11);1-3,11H,4H2,(H,8,10);1-4H,(H,8,10);1-4H;1-4H,(H,8,9).

What are the key properties of 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane?

3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane has a molecular weight of 1376.60 g/mol, XLogP of 10.19, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoropyridine-2-carbaldehyde;5-isocyano-1H-pyrazolo[4,5-b]pyridine;methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[4,5-b]pyridine-5-carbaldehyde;1H-pyrazolo[4,5-b]pyridin-5-ylmethanol;trimethyl-[2-[(4-oxidopyrazolo[4,5-b]pyridin-4-ium-1-yl)methoxy]ethyl]silane;trimethyl-[2-(pyrazolo[4,5-b]pyridin-1-ylmethoxy)ethyl]silane is sourced from PubChem (CID 161000086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).