4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one

C15H15F3N4O3 — CID 171808313

IUPAC4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCOc1cc(=O)n(C)c2c1C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2
InChIInChI=1S/C15H15F3N4O3/c1-8-13-10(20(2)12(23)4-11(13)25-3)7-21(8)14(24)9-5-19-22(6-9)15(16,17)18/h4-6,8H,7H2,1-3H3
InChIKeyRGGAIOJBPQVDBA-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.78
Rot. Bonds2

About 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one

4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808313) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808313
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCOc1cc(=O)n(C)c2c1C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2
InChIInChI=1S/C15H15F3N4O3/c1-8-13-10(20(2)12(23)4-11(13)25-3)7-21(8)14(24)9-5-19-22(6-9)15(16,17)18/h4-6,8H,7H2,1-3H3
InChIKeyRGGAIOJBPQVDBA-UHFFFAOYSA-N
XLogP1.78
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808313) is 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is COc1cc(=O)n(C)c2c1C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2.
What is the InChIKey of 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is RGGAIOJBPQVDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-8-13-10(20(2)12(23)4-11(13)25-3)7-21(8)14(24)9-5-19-22(6-9)15(16,17)18/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 356.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,5-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).