5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile

C25H22F3N5O4S — CID 176830925

IUPAC5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(C2CC2)c1Oc1nc(-c2cncc(C#N)c2)ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H22F3N5O4S/c1-15-10-21(25(26,27)28)32-22(17-2-3-17)23(15)37-24-20(38(34,35)33-6-8-36-9-7-33)5-4-19(31-24)18-11-16(12-29)13-30-14-18/h4-5,10-11,13-14,17H,2-3,6-9H2,1H3
InChIKeyIQDGTKAUKFTADF-UHFFFAOYSA-N
MW545.54 g/mol
LogP4.43
Rot. Bonds6

About 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile

5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 176830925) has the molecular formula C25H22F3N5O4S and a molecular weight of 545.54 g/mol. Its IUPAC name is 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID176830925
Molecular FormulaC25H22F3N5O4S
Molecular Weight545.54 g/mol
Exact Mass545.13
IUPAC Name5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(C2CC2)c1Oc1nc(-c2cncc(C#N)c2)ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H22F3N5O4S/c1-15-10-21(25(26,27)28)32-22(17-2-3-17)23(15)37-24-20(38(34,35)33-6-8-36-9-7-33)5-4-19(31-24)18-11-16(12-29)13-30-14-18/h4-5,10-11,13-14,17H,2-3,6-9H2,1H3
InChIKeyIQDGTKAUKFTADF-UHFFFAOYSA-N
XLogP4.43
TPSA118.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830833
6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide
CID 176830563
6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide
CID 176830572
N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide
CID 176830628
1-[[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxan-4-yl)piperazine
CID 170144096
5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830626
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-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830776
3-methyl-4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 166212530
propan-2-yl (E)-3-[[[amino-[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methylidene]amino]methylideneamino]-2-(5-cyano-3-pyridinyl)prop-2-enoate
CID 170271420

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile (CID 176830925) is 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)nc(C2CC2)c1Oc1nc(-c2cncc(C#N)c2)ccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is IQDGTKAUKFTADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O4S/c1-15-10-21(25(26,27)28)32-22(17-2-3-17)23(15)37-24-20(38(34,35)33-6-8-36-9-7-33)5-4-19(31-24)18-11-16(12-29)13-30-14-18/h4-5,10-11,13-14,17H,2-3,6-9H2,1H3.
What are the key properties of 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile?
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 545.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 176830925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).