(6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine

C23H16BF2N7O2 — CID 161141628

IUPAC(6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESFc1cccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)n1.OB(O)c1cccc(F)n1
InChIInChI=1S/C18H11FN6.C5H5BFNO2/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24;7-5-3-1-2-4(8-5)6(9)10/h1-11H;1-3,9-10H
InChIKeyUNNDXEGGGZTSBB-UHFFFAOYSA-N
MW471.24 g/mol
LogP2.17
Rot. Bonds3

About (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine

(6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 161141628) has the molecular formula C23H16BF2N7O2 and a molecular weight of 471.24 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID161141628
Molecular FormulaC23H16BF2N7O2
Molecular Weight471.24 g/mol
Exact Mass471.14
IUPAC Name(6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine
SMILESFc1cccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)n1.OB(O)c1cccc(F)n1
InChIInChI=1S/C18H11FN6.C5H5BFNO2/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24;7-5-3-1-2-4(8-5)6(9)10/h1-11H;1-3,9-10H
InChIKeyUNNDXEGGGZTSBB-UHFFFAOYSA-N
XLogP2.17
TPSA114.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine with MolForge

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Launch Full Analysis

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N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
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1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
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6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
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N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
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US10399985, Example 30
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US10399985, Example 20
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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine (CID 161141628) is (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine is Fc1cccc(-c2nc(-n3ccc4cnccc43)c3cccn3n2)n1.OB(O)c1cccc(F)n1.
What is the InChIKey of (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is UNNDXEGGGZTSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6.C5H5BFNO2/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24;7-5-3-1-2-4(8-5)6(9)10/h1-11H;1-3,9-10H.
What are the key properties of (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine?
(6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 471.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)boronic acid;2-(6-fluoro-2-pyridinyl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 161141628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).