6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide

C21H18F2N6O3S — CID 176830572

IUPAC6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cncc(C#N)c2)nc1Oc1c(C)nc(C(F)F)nc1C1CC1
InChIInChI=1S/C21H18F2N6O3S/c1-11-18(17(13-3-4-13)29-20(27-11)19(22)23)32-21-16(33(30,31)25-2)6-5-15(28-21)14-7-12(8-24)9-26-10-14/h5-7,9-10,13,19,25H,3-4H2,1-2H3
InChIKeyZINNOXJSYIYBNP-UHFFFAOYSA-N
MW472.48 g/mol
LogP3.63
Rot. Bonds7

About 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide

6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide (PubChem CID 176830572) has the molecular formula C21H18F2N6O3S and a molecular weight of 472.48 g/mol. Its IUPAC name is 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide
PubChem CID176830572
Molecular FormulaC21H18F2N6O3S
Molecular Weight472.48 g/mol
Exact Mass472.11
IUPAC Name6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cncc(C#N)c2)nc1Oc1c(C)nc(C(F)F)nc1C1CC1
InChIInChI=1S/C21H18F2N6O3S/c1-11-18(17(13-3-4-13)29-20(27-11)19(22)23)32-21-16(33(30,31)25-2)6-5-15(28-21)14-7-12(8-24)9-26-10-14/h5-7,9-10,13,19,25H,3-4H2,1-2H3
InChIKeyZINNOXJSYIYBNP-UHFFFAOYSA-N
XLogP3.63
TPSA130.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide
CID 176830563
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile
CID 176830925
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-(pyridin-3-ylsulfonimidoyl)-2-pyridinyl]pyridine-3-carbonitrile
CID 176830731
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-(pyrazin-2-ylsulfonimidoyl)-2-pyridinyl]pyridine-3-carbonitrile
CID 176830752
N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide
CID 176830628
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830833
N-[6-(5-cyano-3-pyridinyl)-2-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidin-5-yl]oxy-3-pyridinyl]methanesulfonamide
CID 176830686
N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830696
5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830626
N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830557
N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830892
N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830776

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide (CID 176830572) is 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(-c2cncc(C#N)c2)nc1Oc1c(C)nc(C(F)F)nc1C1CC1.
What is the InChIKey of 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide?
The InChIKey is ZINNOXJSYIYBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O3S/c1-11-18(17(13-3-4-13)29-20(27-11)19(22)23)32-21-16(33(30,31)25-2)6-5-15(28-21)14-7-12(8-24)9-26-10-14/h5-7,9-10,13,19,25H,3-4H2,1-2H3.
What are the key properties of 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide?
6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide has a molecular weight of 472.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 176830572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).