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

C20H13F4N5S — CID 59130806

IUPAC5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole
SMILESCn1nc(C(F)(F)F)c2cc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)sc21
InChIInChI=1S/C20H13F4N5S/c1-28-19-13(17(27-28)20(22,23)24)8-11(30-19)9-29-7-6-15-16(10-29)26-18(25-15)12-4-2-3-5-14(12)21/h2-8,10H,9H2,1H3
InChIKeyWKZYNELEMQLPMG-UHFFFAOYSA-N
MW431.42 g/mol
LogP5.20
Rot. Bonds3

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

5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole (PubChem CID 59130806) has the molecular formula C20H13F4N5S and a molecular weight of 431.42 g/mol. Its IUPAC name is 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole.

Molecular Properties

Compound Name5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole
PubChem CID59130806
Molecular FormulaC20H13F4N5S
Molecular Weight431.42 g/mol
Exact Mass431.08
IUPAC Name5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole
SMILESCn1nc(C(F)(F)F)c2cc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)sc21
InChIInChI=1S/C20H13F4N5S/c1-28-19-13(17(27-28)20(22,23)24)8-11(30-19)9-29-7-6-15-16(10-29)26-18(25-15)12-4-2-3-5-14(12)21/h2-8,10H,9H2,1H3
InChIKeyWKZYNELEMQLPMG-UHFFFAOYSA-N
XLogP5.20
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole?
The IUPAC name of 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole (CID 59130806) is 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole.
What is the SMILES notation for 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole?
The canonical SMILES for 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole is Cn1nc(C(F)(F)F)c2cc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)sc21.
What is the InChIKey of 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole?
The InChIKey is WKZYNELEMQLPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5S/c1-28-19-13(17(27-28)20(22,23)24)8-11(30-19)9-29-7-6-15-16(10-29)26-18(25-15)12-4-2-3-5-14(12)21/h2-8,10H,9H2,1H3.
What are the key properties of 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole?
5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole has a molecular weight of 431.42 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole is sourced from PubChem (CID 59130806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).