5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane

C22H18F5N5S — CID 143073526

IUPAC5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane
SMILESCC.Cn1nc(C(F)(F)F)c2cc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)sc21
InChIInChI=1S/C20H12F5N5S.C2H6/c1-29-19-12(17(28-29)20(23,24)25)7-10(31-19)8-30-6-5-14-15(9-30)27-18(26-14)11-3-2-4-13(21)16(11)22;1-2/h2-7,9H,8H2,1H3;1-2H3
InChIKeyDQXDLGJPXGVWGB-UHFFFAOYSA-N
MW479.48 g/mol
LogP6.37
Rot. Bonds3

About 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane

5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane (PubChem CID 143073526) has the molecular formula C22H18F5N5S and a molecular weight of 479.48 g/mol. Its IUPAC name is 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane.

Molecular Properties

Compound Name5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane
PubChem CID143073526
Molecular FormulaC22H18F5N5S
Molecular Weight479.48 g/mol
Exact Mass479.12
IUPAC Name5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane
SMILESCC.Cn1nc(C(F)(F)F)c2cc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)sc21
InChIInChI=1S/C20H12F5N5S.C2H6/c1-29-19-12(17(28-29)20(23,24)25)7-10(31-19)8-30-6-5-14-15(9-30)27-18(26-14)11-3-2-4-13(21)16(11)22;1-2/h2-7,9H,8H2,1H3;1-2H3
InChIKeyDQXDLGJPXGVWGB-UHFFFAOYSA-N
XLogP6.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.48
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane?
The IUPAC name of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane (CID 143073526) is 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane.
What is the SMILES notation for 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane?
The canonical SMILES for 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane is CC.Cn1nc(C(F)(F)F)c2cc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)sc21.
What is the InChIKey of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane?
The InChIKey is DQXDLGJPXGVWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N5S.C2H6/c1-29-19-12(17(28-29)20(23,24)25)7-10(31-19)8-30-6-5-14-15(9-30)27-18(26-14)11-3-2-4-13(21)16(11)22;1-2/h2-7,9H,8H2,1H3;1-2H3.
What are the key properties of 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane?
5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane has a molecular weight of 479.48 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole;ethane is sourced from PubChem (CID 143073526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).