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

C15H15F3N4O2 — CID 171808242

IUPAC1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1cc(=O)n(C)c2c1C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2
InChIInChI=1S/C15H15F3N4O2/c1-8-4-12(23)20(3)11-7-21(9(2)13(8)11)14(24)10-5-19-22(6-10)15(16,17)18/h4-6,9H,7H2,1-3H3
InChIKeyUIRKJXXEDFDTDC-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.08
Rot. Bonds1

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

1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808242) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808242
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1cc(=O)n(C)c2c1C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2
InChIInChI=1S/C15H15F3N4O2/c1-8-4-12(23)20(3)11-7-21(9(2)13(8)11)14(24)10-5-19-22(6-10)15(16,17)18/h4-6,9H,7H2,1-3H3
InChIKeyUIRKJXXEDFDTDC-UHFFFAOYSA-N
XLogP2.08
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808242) is 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is Cc1cc(=O)n(C)c2c1C(C)N(C(=O)c1cnn(C(F)(F)F)c1)C2.
What is the InChIKey of 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is UIRKJXXEDFDTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-8-4-12(23)20(3)11-7-21(9(2)13(8)11)14(24)10-5-19-22(6-10)15(16,17)18/h4-6,9H,7H2,1-3H3.
What are the key properties of 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 340.31 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).