N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide

C17H21F3N4OS — CID 86920617

IUPACN-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide
SMILESCC(C)C(Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)NC1CCCC1
InChIInChI=1S/C17H21F3N4OS/c1-10(2)14(15(25)21-12-5-3-4-6-12)26-16-23-22-13-8-7-11(9-24(13)16)17(18,19)20/h7-10,12,14H,3-6H2,1-2H3,(H,21,25)
InChIKeyZUDOIYASIKJRJG-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.92
Rot. Bonds5

About N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide

N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide (PubChem CID 86920617) has the molecular formula C17H21F3N4OS and a molecular weight of 386.44 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide
PubChem CID86920617
Molecular FormulaC17H21F3N4OS
Molecular Weight386.44 g/mol
Exact Mass386.14
IUPAC NameN-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide
SMILESCC(C)C(Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)NC1CCCC1
InChIInChI=1S/C17H21F3N4OS/c1-10(2)14(15(25)21-12-5-3-4-6-12)26-16-23-22-13-8-7-11(9-24(13)16)17(18,19)20/h7-10,12,14H,3-6H2,1-2H3,(H,21,25)
InChIKeyZUDOIYASIKJRJG-UHFFFAOYSA-N
XLogP3.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide (CID 86920617) is N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide is CC(C)C(Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide?
The InChIKey is ZUDOIYASIKJRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4OS/c1-10(2)14(15(25)21-12-5-3-4-6-12)26-16-23-22-13-8-7-11(9-24(13)16)17(18,19)20/h7-10,12,14H,3-6H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide?
N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide has a molecular weight of 386.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide is sourced from PubChem (CID 86920617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).