N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide

C17H18F3N5OS — CID 171490747

IUPACN-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide
SMILESCCSc1c(-c2cn3ccc(C(F)(F)F)cc3n2)nn(C)c1NC(=O)CC
InChIInChI=1S/C17H18F3N5OS/c1-4-13(26)22-16-15(27-5-2)14(23-24(16)3)11-9-25-7-6-10(17(18,19)20)8-12(25)21-11/h6-9H,4-5H2,1-3H3,(H,22,26)
InChIKeyWQNAFTQUPOZYHR-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.21
Rot. Bonds5

About N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide

N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide (PubChem CID 171490747) has the molecular formula C17H18F3N5OS and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide
PubChem CID171490747
Molecular FormulaC17H18F3N5OS
Molecular Weight397.43 g/mol
Exact Mass397.12
IUPAC NameN-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide
SMILESCCSc1c(-c2cn3ccc(C(F)(F)F)cc3n2)nn(C)c1NC(=O)CC
InChIInChI=1S/C17H18F3N5OS/c1-4-13(26)22-16-15(27-5-2)14(23-24(16)3)11-9-25-7-6-10(17(18,19)20)8-12(25)21-11/h6-9H,4-5H2,1-3H3,(H,22,26)
InChIKeyWQNAFTQUPOZYHR-UHFFFAOYSA-N
XLogP4.21
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide
CID 171490752
ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate
CID 169180020
methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 45158622
N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 169180037
7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 118973263
2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 134560518
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146589669
3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride
CID 137404635
CID 162614110
CID 162614110
N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122283802
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117135507
N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide
CID 54419998

Frequently Asked Questions

What is the IUPAC name of N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide?
The IUPAC name of N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide (CID 171490747) is N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide.
What is the SMILES notation for N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide?
The canonical SMILES for N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide is CCSc1c(-c2cn3ccc(C(F)(F)F)cc3n2)nn(C)c1NC(=O)CC.
What is the InChIKey of N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide?
The InChIKey is WQNAFTQUPOZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5OS/c1-4-13(26)22-16-15(27-5-2)14(23-24(16)3)11-9-25-7-6-10(17(18,19)20)8-12(25)21-11/h6-9H,4-5H2,1-3H3,(H,22,26).
What are the key properties of N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide?
N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide has a molecular weight of 397.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide is sourced from PubChem (CID 171490747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).