3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

C21H16ClF2N3O2S — CID 67438506

IUPAC3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2c(C(F)F)nc3ccccn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C21H16ClF2N3O2S/c1-11(12-6-2-3-7-13(12)22)29-14-10-15(30-19(14)21(25)28)18-17(20(23)24)26-16-8-4-5-9-27(16)18/h2-11,20H,1H3,(H2,25,28)
InChIKeyBNDXHNFHLLGMSM-UHFFFAOYSA-N
MW447.89 g/mol
LogP5.89
Rot. Bonds6

About 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 67438506) has the molecular formula C21H16ClF2N3O2S and a molecular weight of 447.89 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID67438506
Molecular FormulaC21H16ClF2N3O2S
Molecular Weight447.89 g/mol
Exact Mass447.06
IUPAC Name3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2c(C(F)F)nc3ccccn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C21H16ClF2N3O2S/c1-11(12-6-2-3-7-13(12)22)29-14-10-15(30-19(14)21(25)28)18-17(20(23)24)26-16-8-4-5-9-27(16)18/h2-11,20H,1H3,(H2,25,28)
InChIKeyBNDXHNFHLLGMSM-UHFFFAOYSA-N
XLogP5.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.89
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 67438506) is 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is CC(Oc1cc(-c2c(C(F)F)nc3ccccn23)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is BNDXHNFHLLGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N3O2S/c1-11(12-6-2-3-7-13(12)22)29-14-10-15(30-19(14)21(25)28)18-17(20(23)24)26-16-8-4-5-9-27(16)18/h2-11,20H,1H3,(H2,25,28).
What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 447.89 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67438506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).