N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide

C40H38F6N12O4S2 — CID 162129035

IUPACN-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1cc(NC(=O)C2CC2)cnc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C.CCSc1cc(NC(=O)C2CC2)cnc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C
InChIInChI=1S/C20H19F3N6O3S.C20H19F3N6OS/c1-3-33(31,32)15-9-13(26-19(30)11-4-5-11)10-25-16(15)18-28-27-17(29(18)2)14-8-12(6-7-24-14)20(21,22)23;1-3-31-15-9-13(26-19(30)11-4-5-11)10-25-16(15)18-28-27-17(29(18)2)14-8-12(6-7-24-14)20(21,22)23/h6-11H,3-5H2,1-2H3,(H,26,30);6-11H,3-5H2,1-2H3,(H,26,30)
InChIKeyZIKPPRHCLVSUAN-UHFFFAOYSA-N
MW928.95 g/mol
LogP7.52
Rot. Bonds12

About N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 162129035) has the molecular formula C40H38F6N12O4S2 and a molecular weight of 928.95 g/mol. Its IUPAC name is N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID162129035
Molecular FormulaC40H38F6N12O4S2
Molecular Weight928.95 g/mol
Exact Mass928.25
IUPAC NameN-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1cc(NC(=O)C2CC2)cnc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C.CCSc1cc(NC(=O)C2CC2)cnc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C
InChIInChI=1S/C20H19F3N6O3S.C20H19F3N6OS/c1-3-33(31,32)15-9-13(26-19(30)11-4-5-11)10-25-16(15)18-28-27-17(29(18)2)14-8-12(6-7-24-14)20(21,22)23;1-3-31-15-9-13(26-19(30)11-4-5-11)10-25-16(15)18-28-27-17(29(18)2)14-8-12(6-7-24-14)20(21,22)23/h6-11H,3-5H2,1-2H3,(H,26,30);6-11H,3-5H2,1-2H3,(H,26,30)
InChIKeyZIKPPRHCLVSUAN-UHFFFAOYSA-N
XLogP7.52
TPSA205.32 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500928.95
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

tert-butyl N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]carbamate
CID 131987419
N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]-N'-methylcyclopropanecarbohydrazide
CID 135283253
N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]-N-methylcyclopropanecarboxamide
CID 135283258
N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]methanesulfonamide
CID 135283259
N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]-N,N'-dimethylcyclopropanecarbohydrazide
CID 135283260
N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]-N-methylsulfonylcyclopropanecarboxamide
CID 135283267
N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]-N-methylcyclopropanecarboxamide
CID 135283277
N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 135283280
N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]cyclopropanecarboxamide
CID 135334599
N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]cyclopropanecarboxamide
CID 140914171
N-cyclopropyl-5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-amine
CID 140914177
N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]cyclopropanecarboxamide
CID 140914182

Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 162129035) is N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide is CCS(=O)(=O)c1cc(NC(=O)C2CC2)cnc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C.CCSc1cc(NC(=O)C2CC2)cnc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C.
What is the InChIKey of N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZIKPPRHCLVSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S.C20H19F3N6OS/c1-3-33(31,32)15-9-13(26-19(30)11-4-5-11)10-25-16(15)18-28-27-17(29(18)2)14-8-12(6-7-24-14)20(21,22)23;1-3-31-15-9-13(26-19(30)11-4-5-11)10-25-16(15)18-28-27-17(29(18)2)14-8-12(6-7-24-14)20(21,22)23/h6-11H,3-5H2,1-2H3,(H,26,30);6-11H,3-5H2,1-2H3,(H,26,30).
What are the key properties of N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 928.95 g/mol, XLogP of 7.52, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethylsulfanyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 162129035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).