4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile

C23H15F2N7O3S — CID 167648734

IUPAC4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile
SMILESCOc1ncc(F)cc1S(=O)(=O)Cc1nccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C#N
InChIInChI=1S/C23H15F2N7O3S/c1-35-23-18(8-12(24)10-30-23)36(33,34)11-17-16(9-26)13(4-5-27-17)14-2-3-15-20(19(14)25)31-32-21(15)22-28-6-7-29-22/h2-8,10H,11H2,1H3,(H,28,29)(H,31,32)
InChIKeyQGLYQMOAPGVJSK-UHFFFAOYSA-N
MW507.48 g/mol
LogP3.54
Rot. Bonds6

About 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile

4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile (PubChem CID 167648734) has the molecular formula C23H15F2N7O3S and a molecular weight of 507.48 g/mol. Its IUPAC name is 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile
PubChem CID167648734
Molecular FormulaC23H15F2N7O3S
Molecular Weight507.48 g/mol
Exact Mass507.09
IUPAC Name4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile
SMILESCOc1ncc(F)cc1S(=O)(=O)Cc1nccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C#N
InChIInChI=1S/C23H15F2N7O3S/c1-35-23-18(8-12(24)10-30-23)36(33,34)11-17-16(9-26)13(4-5-27-17)14-2-3-15-20(19(14)25)31-32-21(15)22-28-6-7-29-22/h2-8,10H,11H2,1H3,(H,28,29)(H,31,32)
InChIKeyQGLYQMOAPGVJSK-UHFFFAOYSA-N
XLogP3.54
TPSA150.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile (CID 167648734) is 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile is COc1ncc(F)cc1S(=O)(=O)Cc1nccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C#N.
What is the InChIKey of 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile?
The InChIKey is QGLYQMOAPGVJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N7O3S/c1-35-23-18(8-12(24)10-30-23)36(33,34)11-17-16(9-26)13(4-5-27-17)14-2-3-15-20(19(14)25)31-32-21(15)22-28-6-7-29-22/h2-8,10H,11H2,1H3,(H,28,29)(H,31,32).
What are the key properties of 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile?
4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile has a molecular weight of 507.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 167648734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).