N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide

C22H19F2N3O2S — CID 46942725

IUPACN-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1cccs1
InChIInChI=1S/C22H19F2N3O2S/c1-3-17-21(26(2)22(28)19-7-5-11-30-19)27-10-4-6-18(20(27)25-17)29-13-14-8-9-15(23)16(24)12-14/h4-12H,3,13H2,1-2H3
InChIKeyTXUIACLUCFUTBF-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.09
Rot. Bonds6

About N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide

N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide (PubChem CID 46942725) has the molecular formula C22H19F2N3O2S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
PubChem CID46942725
Molecular FormulaC22H19F2N3O2S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1cccs1
InChIInChI=1S/C22H19F2N3O2S/c1-3-17-21(26(2)22(28)19-7-5-11-30-19)27-10-4-6-18(20(27)25-17)29-13-14-8-9-15(23)16(24)12-14/h4-12H,3,13H2,1-2H3
InChIKeyTXUIACLUCFUTBF-UHFFFAOYSA-N
XLogP5.09
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide (CID 46942725) is N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide is CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1cccs1.
What is the InChIKey of N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is TXUIACLUCFUTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2S/c1-3-17-21(26(2)22(28)19-7-5-11-30-19)27-10-4-6-18(20(27)25-17)29-13-14-8-9-15(23)16(24)12-14/h4-12H,3,13H2,1-2H3.
What are the key properties of N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 46942725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).