(1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol

C25H24F3N5O3S2 — CID 178036217

IUPAC(1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1nnc2ccc(-c3ccc(S(=O)(=O)[C@@H]4CC[C@@H](Nc5ccc(SC(F)(F)F)cn5)[C@H](O)C4)cc3)cn12
InChIInChI=1S/C25H24F3N5O3S2/c1-15-31-32-24-11-4-17(14-33(15)24)16-2-6-19(7-3-16)38(35,36)20-8-9-21(22(34)12-20)30-23-10-5-18(13-29-23)37-25(26,27)28/h2-7,10-11,13-14,20-22,34H,8-9,12H2,1H3,(H,29,30)/t20-,21-,22-/m1/s1
InChIKeyUFRKWRFPEOOJFN-YPAWHYETSA-N
MW563.63 g/mol
LogP4.88
Rot. Bonds6

About (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol

(1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 178036217) has the molecular formula C25H24F3N5O3S2 and a molecular weight of 563.63 g/mol. Its IUPAC name is (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID178036217
Molecular FormulaC25H24F3N5O3S2
Molecular Weight563.63 g/mol
Exact Mass563.13
IUPAC Name(1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1nnc2ccc(-c3ccc(S(=O)(=O)[C@@H]4CC[C@@H](Nc5ccc(SC(F)(F)F)cn5)[C@H](O)C4)cc3)cn12
InChIInChI=1S/C25H24F3N5O3S2/c1-15-31-32-24-11-4-17(14-33(15)24)16-2-6-19(7-3-16)38(35,36)20-8-9-21(22(34)12-20)30-23-10-5-18(13-29-23)37-25(26,27)28/h2-7,10-11,13-14,20-22,34H,8-9,12H2,1H3,(H,29,30)/t20-,21-,22-/m1/s1
InChIKeyUFRKWRFPEOOJFN-YPAWHYETSA-N
XLogP4.88
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.63
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-[4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonylcyclohexyl]carbamate
CID 171786957
5-(pentafluoro-λ6-sulfanyl)-N-[4-[[4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonimidoyl]cyclohexyl]pyridin-2-amine
CID 178182986
N-[4-[4-[2-[3-(methylamino)oxetan-3-yl]-4-pyridinyl]phenyl]sulfonylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164878015
(3S,4R)-1-[4-(3,5-dimethyl-4-pyridinyl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282922
3-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]sulfonylphenyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 164878231
N-[6-[difluoro-[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233119
N-[4-[4-[2-[1,1-difluoro-2-(methylamino)ethyl]-4-pyridinyl]phenyl]sulfonylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164878074
5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide
CID 170282911
1-[7-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 168772565
N-[4-[4-[2-[3-(dimethylamino)oxetan-3-yl]-4-pyridinyl]phenyl]sulfonylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164878165
(3S,4R)-1-[4-(3-methyl-4-pyridinyl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282782
(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol
CID 170280958

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol (CID 178036217) is (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol is Cc1nnc2ccc(-c3ccc(S(=O)(=O)[C@@H]4CC[C@@H](Nc5ccc(SC(F)(F)F)cn5)[C@H](O)C4)cc3)cn12.
What is the InChIKey of (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is UFRKWRFPEOOJFN-YPAWHYETSA-N. The full InChI is InChI=1S/C25H24F3N5O3S2/c1-15-31-32-24-11-4-17(14-33(15)24)16-2-6-19(7-3-16)38(35,36)20-8-9-21(22(34)12-20)30-23-10-5-18(13-29-23)37-25(26,27)28/h2-7,10-11,13-14,20-22,34H,8-9,12H2,1H3,(H,29,30)/t20-,21-,22-/m1/s1.
What are the key properties of (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol?
(1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 563.63 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]sulfonyl-2-[[5-(trifluoromethylsulfanyl)-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 178036217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).