5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine

C20H15F2N3O3S — CID 118367659

IUPAC5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine
SMILESCS(=O)(=O)Cc1ccnc(Nc2cc(-c3ccc(F)c4ccoc34)c(F)cn2)c1
InChIInChI=1S/C20H15F2N3O3S/c1-29(26,27)11-12-4-6-23-18(8-12)25-19-9-15(17(22)10-24-19)13-2-3-16(21)14-5-7-28-20(13)14/h2-10H,11H2,1H3,(H,23,24,25)
InChIKeyUFKIDRYKDJTUHA-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.46
Rot. Bonds5

About 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine

5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 118367659) has the molecular formula C20H15F2N3O3S and a molecular weight of 415.42 g/mol. Its IUPAC name is 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID118367659
Molecular FormulaC20H15F2N3O3S
Molecular Weight415.42 g/mol
Exact Mass415.08
IUPAC Name5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine
SMILESCS(=O)(=O)Cc1ccnc(Nc2cc(-c3ccc(F)c4ccoc34)c(F)cn2)c1
InChIInChI=1S/C20H15F2N3O3S/c1-29(26,27)11-12-4-6-23-18(8-12)25-19-9-15(17(22)10-24-19)13-2-3-16(21)14-5-7-28-20(13)14/h2-10H,11H2,1H3,(H,23,24,25)
InChIKeyUFKIDRYKDJTUHA-UHFFFAOYSA-N
XLogP4.46
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-[[5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-2-pyridinyl]amino]-4-pyridinyl]methylidene-methyl-oxo-λ6-sulfanyl]-3-(2,2,2-trifluoroethyl)urea
CID 123424521
(E)-2,2-difluoro-N-[[2-[[5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-2-pyridinyl]amino]-6-(trifluoromethyl)-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]pent-3-enamide
CID 162565191
5-fluoro-4-(7-fluoro-2-methyl-3-propylindazol-5-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine
CID 175484264
N-[4-[(ethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 90165609
N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 74767093
1-ethyl-3-[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]urea
CID 74767096
4-[[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]amino]-4-oxobutanoic acid
CID 176837125
(2S)-2-[[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]amino]-3-methylbutanamide
CID 172547703
[[3-[[5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)pyrimidin-2-yl]amino]-5-methylphenyl]methyl-methyl-oxo-λ6-sulfanylidene]cyanamide
CID 121290164
4-(4,4-dimethyl-3H-isoquinolin-6-yl)-5-fluoro-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 175742028
N-[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]-2-(4-prop-2-ynylpiperidin-1-yl)acetamide
CID 176837150
N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-[(3E)-3-methoxypenta-1,3-dien-2-yl]pyridin-2-amine
CID 90165599

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine (CID 118367659) is 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine is CS(=O)(=O)Cc1ccnc(Nc2cc(-c3ccc(F)c4ccoc34)c(F)cn2)c1.
What is the InChIKey of 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is UFKIDRYKDJTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3S/c1-29(26,27)11-12-4-6-23-18(8-12)25-19-9-15(17(22)10-24-19)13-2-3-16(21)14-5-7-28-20(13)14/h2-10H,11H2,1H3,(H,23,24,25).
What are the key properties of 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine?
5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 415.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 118367659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).