8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine

C20H14F3N5O2S — CID 156889895

IUPAC8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
SMILESCCS(=O)(=O)c1c(-c2cn3c(ccc4c(C(F)(F)F)ccnc43)n2)nn2ccccc12
InChIInChI=1S/C20H14F3N5O2S/c1-2-31(29,30)18-15-5-3-4-10-28(15)26-17(18)14-11-27-16(25-14)7-6-12-13(20(21,22)23)8-9-24-19(12)27/h3-11H,2H2,1H3
InChIKeyZWRUOSDOVMKYGC-UHFFFAOYSA-N
MW445.43 g/mol
LogP4.01
Rot. Bonds3

About 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine

8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine (PubChem CID 156889895) has the molecular formula C20H14F3N5O2S and a molecular weight of 445.43 g/mol. Its IUPAC name is 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
PubChem CID156889895
Molecular FormulaC20H14F3N5O2S
Molecular Weight445.43 g/mol
Exact Mass445.08
IUPAC Name8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
SMILESCCS(=O)(=O)c1c(-c2cn3c(ccc4c(C(F)(F)F)ccnc43)n2)nn2ccccc12
InChIInChI=1S/C20H14F3N5O2S/c1-2-31(29,30)18-15-5-3-4-10-28(15)26-17(18)14-11-27-16(25-14)7-6-12-13(20(21,22)23)8-9-24-19(12)27/h3-11H,2H2,1H3
InChIKeyZWRUOSDOVMKYGC-UHFFFAOYSA-N
XLogP4.01
TPSA81.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The IUPAC name of 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine (CID 156889895) is 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine is CCS(=O)(=O)c1c(-c2cn3c(ccc4c(C(F)(F)F)ccnc43)n2)nn2ccccc12.
What is the InChIKey of 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The InChIKey is ZWRUOSDOVMKYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2S/c1-2-31(29,30)18-15-5-3-4-10-28(15)26-17(18)14-11-27-16(25-14)7-6-12-13(20(21,22)23)8-9-24-19(12)27/h3-11H,2H2,1H3.
What are the key properties of 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine has a molecular weight of 445.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 156889895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).