3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one

C23H17F3N4O4 — CID 75124304

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one
SMILESCOc1nc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)C3c1ccccc1OC(F)(F)F
InChIInChI=1S/C23H17F3N4O4/c1-10-17(11(2)34-30-10)13-8-14-20(29-22(13)32-3)19-15(9-27-14)28-21(31)18(19)12-6-4-5-7-16(12)33-23(24,25)26/h4-9,18H,1-3H3,(H,28,31)
InChIKeyWWSIFGSLYORAET-UHFFFAOYSA-N
MW470.41 g/mol
LogP4.89
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one (PubChem CID 75124304) has the molecular formula C23H17F3N4O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one
PubChem CID75124304
Molecular FormulaC23H17F3N4O4
Molecular Weight470.41 g/mol
Exact Mass470.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one
SMILESCOc1nc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)C3c1ccccc1OC(F)(F)F
InChIInChI=1S/C23H17F3N4O4/c1-10-17(11(2)34-30-10)13-8-14-20(29-22(13)32-3)19-15(9-27-14)28-21(31)18(19)12-6-4-5-7-16(12)33-23(24,25)26/h4-9,18H,1-3H3,(H,28,31)
InChIKeyWWSIFGSLYORAET-UHFFFAOYSA-N
XLogP4.89
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one (CID 75124304) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one is COc1nc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)C3c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one?
The InChIKey is WWSIFGSLYORAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4/c1-10-17(11(2)34-30-10)13-8-14-20(29-22(13)32-3)19-15(9-27-14)28-21(31)18(19)12-6-4-5-7-16(12)33-23(24,25)26/h4-9,18H,1-3H3,(H,28,31).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one has a molecular weight of 470.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one is sourced from PubChem (CID 75124304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).