5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine

C22H16FN5O2S — CID 172600807

IUPAC5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(-c4ccc5[nH]ncc5c4F)nccc3cn2)cc1
InChIInChI=1S/C22H16FN5O2S/c1-31(29,30)15-4-2-14(3-5-15)27-20-10-17-13(11-25-20)8-9-24-22(17)16-6-7-19-18(21(16)23)12-26-28-19/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyMVEKXNJXOIIPFY-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.46
Rot. Bonds4

About 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine

5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine (PubChem CID 172600807) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
PubChem CID172600807
Molecular FormulaC22H16FN5O2S
Molecular Weight433.47 g/mol
Exact Mass433.10
IUPAC Name5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc3c(-c4ccc5[nH]ncc5c4F)nccc3cn2)cc1
InChIInChI=1S/C22H16FN5O2S/c1-31(29,30)15-4-2-14(3-5-15)27-20-10-17-13(11-25-20)8-9-24-22(17)16-6-7-19-18(21(16)23)12-26-28-19/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyMVEKXNJXOIIPFY-UHFFFAOYSA-N
XLogP4.46
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The IUPAC name of 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine (CID 172600807) is 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine is CS(=O)(=O)c1ccc(Nc2cc3c(-c4ccc5[nH]ncc5c4F)nccc3cn2)cc1.
What is the InChIKey of 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The InChIKey is MVEKXNJXOIIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c1-31(29,30)15-4-2-14(3-5-15)27-20-10-17-13(11-25-20)8-9-24-22(17)16-6-7-19-18(21(16)23)12-26-28-19/h2-12H,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine has a molecular weight of 433.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1H-indazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).