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

C26H29F5N6OS2 — CID 178182986

IUPAC5-(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
SMILES[H]N=S(=O)(c1ccc(-c2ccc3nnc(C(C)C)n3c2)cc1)C1CCC(Nc2ccc(S(F)(F)(F)(F)F)cn2)CC1
InChIInChI=1S/C26H29F5N6OS2/c1-17(2)26-36-35-25-14-5-19(16-37(25)26)18-3-8-21(9-4-18)39(32,38)22-10-6-20(7-11-22)34-24-13-12-23(15-33-24)40(27,28,29,30)31/h3-5,8-9,12-17,20,22,32H,6-7,10-11H2,1-2H3,(H,33,34)
InChIKeyNNNRJPQTLMJDHS-UHFFFAOYSA-N
MW600.68 g/mol
LogP8.40
Rot. Bonds7

About 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

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 (PubChem CID 178182986) has the molecular formula C26H29F5N6OS2 and a molecular weight of 600.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID178182986
Molecular FormulaC26H29F5N6OS2
Molecular Weight600.68 g/mol
Exact Mass600.18
IUPAC Name5-(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
SMILES[H]N=S(=O)(c1ccc(-c2ccc3nnc(C(C)C)n3c2)cc1)C1CCC(Nc2ccc(S(F)(F)(F)(F)F)cn2)CC1
InChIInChI=1S/C26H29F5N6OS2/c1-17(2)26-36-35-25-14-5-19(16-37(25)26)18-3-8-21(9-4-18)39(32,38)22-10-6-20(7-11-22)34-24-13-12-23(15-33-24)40(27,28,29,30)31/h3-5,8-9,12-17,20,22,32H,6-7,10-11H2,1-2H3,(H,33,34)
InChIKeyNNNRJPQTLMJDHS-UHFFFAOYSA-N
XLogP8.40
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]N=S(=O)(c1ccc(-c2ccc3nnc(C(C)C)n3c2)cc1)C1CCC(Nc2ccc(S(F)(F)(F)(F)F)cn2)CC1.
What is the InChIKey of 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?
The InChIKey is NNNRJPQTLMJDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F5N6OS2/c1-17(2)26-36-35-25-14-5-19(16-37(25)26)18-3-8-21(9-4-18)39(32,38)22-10-6-20(7-11-22)34-24-13-12-23(15-33-24)40(27,28,29,30)31/h3-5,8-9,12-17,20,22,32H,6-7,10-11H2,1-2H3,(H,33,34).
What are the key properties of 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?
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 has a molecular weight of 600.68 g/mol, XLogP of 8.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178182986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).