1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate

C₅₂H₄₀F₃N₁₃O₅ — CID 159979786

About 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate

1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate (PubChem CID 159979786) has the molecular formula C₅₂H₄₀F₃N₁₃O₅ and a molecular weight of 983.97 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate
• PubChem CID: 159979786
• Molecular Formula: C₅₂H₄₀F₃N₁₃O₅
• Molecular Weight: 983.97 g/mol
• Exact Mass: 983.32
• IUPAC Name: 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate
• SMILES: COC(=O)C1=NCc2ccncc21.COC(=O)c1nn(Cc2ccccc2F)c2ccncc12.N#Cc1nn(Cc2ccccc2F)c2ccncc12.NC(=O)c1nn(Cc2ccccc2F)c2ccncc12
• InChI: InChI=1S/C15H12FN3O2.C14H11FN4O.C14H9FN4.C9H8N2O2/c1-21-15(20)14-11-8-17-7-6-13(11)19(18-14)9-10-4-2-3-5-12(10)16;15-11-4-2-1-3-9(11)8-19-12-5-6-17-7-10(12)13(18-19)14(16)20;15-12-4-2-1-3-10(12)9-19-14-5-6-17-8-11(14)13(7-16)18-19;1-13-9(12)8-7-5-10-3-2-6(7)4-11-8/h2-8H,9H2,1H3;1-7H,8H2,(H2,16,20);1-6,8H,9H2;2-3,5H,4H2,1H3
• InChIKey: OFPLTHXLYMTCEU-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 236.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.97
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate?

The IUPAC name of 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate (CID 159979786) is 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate.

What is the SMILES notation for 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate?

The canonical SMILES for 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate is COC(=O)C1=NCc2ccncc21.COC(=O)c1nn(Cc2ccccc2F)c2ccncc12.N#Cc1nn(Cc2ccccc2F)c2ccncc12.NC(=O)c1nn(Cc2ccccc2F)c2ccncc12.

What is the InChIKey of 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate?

The InChIKey is OFPLTHXLYMTCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2.C14H11FN4O.C14H9FN4.C9H8N2O2/c1-21-15(20)14-11-8-17-7-6-13(11)19(18-14)9-10-4-2-3-5-12(10)16;15-11-4-2-1-3-9(11)8-19-12-5-6-17-7-10(12)13(18-19)14(16)20;15-12-4-2-1-3-10(12)9-19-14-5-6-17-8-11(14)13(7-16)18-19;1-13-9(12)8-7-5-10-3-2-6(7)4-11-8/h2-8H,9H2,1H3;1-7H,8H2,(H2,16,20);1-6,8H,9H2;2-3,5H,4H2,1H3.

What are the key properties of 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate?

1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate has a molecular weight of 983.97 g/mol, XLogP of 7.17, 9 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide;methyl 1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylate;methyl 1H-pyrrolo[3,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 159979786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159979786 — identifiers, structure, computed properties (public domain)

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