N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide

C20H17F3N4O3S3 — CID 146560599

IUPACN-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(NC(=O)C3CC3)csc12
InChIInChI=1S/C20H17F3N4O3S3/c1-3-33(29,30)17-15-14(11(8-31-15)26-19(28)9-4-5-9)32-16(17)18-25-10-6-13(20(21,22)23)24-7-12(10)27(18)2/h6-9H,3-5H2,1-2H3,(H,26,28)
InChIKeyYNAAZUJZFBCMSF-UHFFFAOYSA-N
MW514.58 g/mol
LogP5.07
Rot. Bonds5

About N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide

N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide (PubChem CID 146560599) has the molecular formula C20H17F3N4O3S3 and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide
PubChem CID146560599
Molecular FormulaC20H17F3N4O3S3
Molecular Weight514.58 g/mol
Exact Mass514.04
IUPAC NameN-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(NC(=O)C3CC3)csc12
InChIInChI=1S/C20H17F3N4O3S3/c1-3-33(29,30)17-15-14(11(8-31-15)26-19(28)9-4-5-9)32-16(17)18-25-10-6-13(20(21,22)23)24-7-12(10)27(18)2/h6-9H,3-5H2,1-2H3,(H,26,28)
InChIKeyYNAAZUJZFBCMSF-UHFFFAOYSA-N
XLogP5.07
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide (CID 146560599) is N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(NC(=O)C3CC3)csc12.
What is the InChIKey of N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide?
The InChIKey is YNAAZUJZFBCMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S3/c1-3-33(29,30)17-15-14(11(8-31-15)26-19(28)9-4-5-9)32-16(17)18-25-10-6-13(20(21,22)23)24-7-12(10)27(18)2/h6-9H,3-5H2,1-2H3,(H,26,28).
What are the key properties of N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide?
N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide has a molecular weight of 514.58 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]thieno[3,2-b]thiophen-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146560599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).