3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide

C19H12F4N4O2S — CID 68767991

IUPAC3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H12F4N4O2S/c20-11-2-1-10(12(5-11)19(21,22)23)8-29-15-6-16(30-17(15)18(24)28)27-9-26-13-3-4-25-7-14(13)27/h1-7,9H,8H2,(H2,24,28)
InChIKeyAQOZZHNNGPJJDA-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.32
Rot. Bonds5

About 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide

3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide (PubChem CID 68767991) has the molecular formula C19H12F4N4O2S and a molecular weight of 436.39 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide
PubChem CID68767991
Molecular FormulaC19H12F4N4O2S
Molecular Weight436.39 g/mol
Exact Mass436.06
IUPAC Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H12F4N4O2S/c20-11-2-1-10(12(5-11)19(21,22)23)8-29-15-6-16(30-17(15)18(24)28)27-9-26-13-3-4-25-7-14(13)27/h1-7,9H,8H2,(H2,24,28)
InChIKeyAQOZZHNNGPJJDA-UHFFFAOYSA-N
XLogP4.32
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide (CID 68767991) is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide is NC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is AQOZZHNNGPJJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O2S/c20-11-2-1-10(12(5-11)19(21,22)23)8-29-15-6-16(30-17(15)18(24)28)27-9-26-13-3-4-25-7-14(13)27/h1-7,9H,8H2,(H2,24,28).
What are the key properties of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide?
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-5-imidazo[4,5-c]pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 68767991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).