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

C15H15F3N4O2 — CID 171808258

IUPAC1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C(F)(F)F)CN(C(=O)c1cnn(C)c1)C2
InChIInChI=1S/C15H15F3N4O2/c1-8-10-6-22(13(23)9-4-19-20(2)5-9)7-11(10)21(3)14(24)12(8)15(16,17)18/h4-5H,6-7H2,1-3H3
InChIKeyRJTZVKZQAVOPOW-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.60
Rot. Bonds1

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

1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808258) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808258
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C(F)(F)F)CN(C(=O)c1cnn(C)c1)C2
InChIInChI=1S/C15H15F3N4O2/c1-8-10-6-22(13(23)9-4-19-20(2)5-9)7-11(10)21(3)14(24)12(8)15(16,17)18/h4-5H,6-7H2,1-3H3
InChIKeyRJTZVKZQAVOPOW-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808258) is 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1C(F)(F)F)CN(C(=O)c1cnn(C)c1)C2.
What is the InChIKey of 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is RJTZVKZQAVOPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-8-10-6-22(13(23)9-4-19-20(2)5-9)7-11(10)21(3)14(24)12(8)15(16,17)18/h4-5H,6-7H2,1-3H3.
What are the key properties of 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 340.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-(1-methylpyrazole-4-carbonyl)-3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).