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

C15H13F5N4O3 — CID 171808279

IUPAC4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c(OC(F)F)c2c(n(C)c1=O)CN(C(=O)c1cnn(C(F)(F)F)c1)C2
InChIInChI=1S/C15H13F5N4O3/c1-7-11(27-14(16)17)9-5-23(6-10(9)22(2)12(7)25)13(26)8-3-21-24(4-8)15(18,19)20/h3-4,14H,5-6H2,1-2H3
InChIKeyRNOMUSANHOCCTB-UHFFFAOYSA-N
MW392.28 g/mol
LogP2.12
Rot. Bonds3

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

4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808279) has the molecular formula C15H13F5N4O3 and a molecular weight of 392.28 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808279
Molecular FormulaC15H13F5N4O3
Molecular Weight392.28 g/mol
Exact Mass392.09
IUPAC Name4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c(OC(F)F)c2c(n(C)c1=O)CN(C(=O)c1cnn(C(F)(F)F)c1)C2
InChIInChI=1S/C15H13F5N4O3/c1-7-11(27-14(16)17)9-5-23(6-10(9)22(2)12(7)25)13(26)8-3-21-24(4-8)15(18,19)20/h3-4,14H,5-6H2,1-2H3
InChIKeyRNOMUSANHOCCTB-UHFFFAOYSA-N
XLogP2.12
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-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 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808279) is 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is Cc1c(OC(F)F)c2c(n(C)c1=O)CN(C(=O)c1cnn(C(F)(F)F)c1)C2.
What is the InChIKey of 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is RNOMUSANHOCCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N4O3/c1-7-11(27-14(16)17)9-5-23(6-10(9)22(2)12(7)25)13(26)8-3-21-24(4-8)15(18,19)20/h3-4,14H,5-6H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 392.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1,3-dimethyl-6-[1-(trifluoromethyl)pyrazole-4-carbonyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).