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

C20H19F3N6O3S — CID 135334599

IUPACN-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2CC2)nc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C
InChIInChI=1S/C20H19F3N6O3S/c1-3-33(31,32)14-6-7-15(26-19(30)11-4-5-11)25-16(14)18-28-27-17(29(18)2)13-10-12(8-9-24-13)20(21,22)23/h6-11H,3-5H2,1-2H3,(H,25,26,30)
InChIKeyZJQQYLOSKZMOGZ-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.10
Rot. Bonds6

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

N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 135334599) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID135334599
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC NameN-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2CC2)nc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C
InChIInChI=1S/C20H19F3N6O3S/c1-3-33(31,32)14-6-7-15(26-19(30)11-4-5-11)25-16(14)18-28-27-17(29(18)2)13-10-12(8-9-24-13)20(21,22)23/h6-11H,3-5H2,1-2H3,(H,25,26,30)
InChIKeyZJQQYLOSKZMOGZ-UHFFFAOYSA-N
XLogP3.10
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 135334599) is N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide is CCS(=O)(=O)c1ccc(NC(=O)C2CC2)nc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C.
What is the InChIKey of N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZJQQYLOSKZMOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c1-3-33(31,32)14-6-7-15(26-19(30)11-4-5-11)25-16(14)18-28-27-17(29(18)2)13-10-12(8-9-24-13)20(21,22)23/h6-11H,3-5H2,1-2H3,(H,25,26,30).
What are the key properties of N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 480.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 135334599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).