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

C19H13F3N4O2S — CID 68764198

IUPAC5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N4O2S/c20-19(21,22)12-3-1-11(2-4-12)9-28-15-7-16(29-17(15)18(23)27)26-10-25-13-5-6-24-8-14(13)26/h1-8,10H,9H2,(H2,23,27)
InChIKeyVYSGTBOOEHPIPP-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.18
Rot. Bonds5

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

5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 68764198) has the molecular formula C19H13F3N4O2S and a molecular weight of 418.40 g/mol. Its IUPAC name is 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID68764198
Molecular FormulaC19H13F3N4O2S
Molecular Weight418.40 g/mol
Exact Mass418.07
IUPAC Name5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N4O2S/c20-19(21,22)12-3-1-11(2-4-12)9-28-15-7-16(29-17(15)18(23)27)26-10-25-13-5-6-24-8-14(13)26/h1-8,10H,9H2,(H2,23,27)
InChIKeyVYSGTBOOEHPIPP-UHFFFAOYSA-N
XLogP4.18
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 68764198) is 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is VYSGTBOOEHPIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S/c20-19(21,22)12-3-1-11(2-4-12)9-28-15-7-16(29-17(15)18(23)27)26-10-25-13-5-6-24-8-14(13)26/h1-8,10H,9H2,(H2,23,27).
What are the key properties of 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[4,5-c]pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 68764198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).