7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione

C19H14F3N5O3 — CID 127035504

IUPAC7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)n1
InChIInChI=1S/C19H14F3N5O3/c1-8-12-13(14(23)15(24-8)16-25-9(2)26-30-16)18(29)27(17(12)28)7-10-3-5-11(6-4-10)19(20,21)22/h3-6H,7,23H2,1-2H3
InChIKeyIYLGILJOYOJTLA-UHFFFAOYSA-N
MW417.35 g/mol
LogP3.15
Rot. Bonds3

About 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione

7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 127035504) has the molecular formula C19H14F3N5O3 and a molecular weight of 417.35 g/mol. Its IUPAC name is 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID127035504
Molecular FormulaC19H14F3N5O3
Molecular Weight417.35 g/mol
Exact Mass417.10
IUPAC Name7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)n1
InChIInChI=1S/C19H14F3N5O3/c1-8-12-13(14(23)15(24-8)16-25-9(2)26-30-16)18(29)27(17(12)28)7-10-3-5-11(6-4-10)19(20,21)22/h3-6H,7,23H2,1-2H3
InChIKeyIYLGILJOYOJTLA-UHFFFAOYSA-N
XLogP3.15
TPSA115.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione with MolForge

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Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 90234050
3,7-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666046
7-(5-amino-2-methylphenyl)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126665915
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808943
4-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]methyl]aniline
CID 66485040
4-amino-7-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 148880247
5-methoxy-9-(methoxymethoxy)-7-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-g]quinoline-6,8-dione
CID 89212632
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
1-methyl-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-one
CID 169159941
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2741597
4-chloro-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 2781849
4,8-difluoro-5-hydroxy-2,6-bis[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[3,4-f]isoindole-1,3,7-trione
CID 90921820

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 127035504) is 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione is Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)n1.
What is the InChIKey of 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is IYLGILJOYOJTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O3/c1-8-12-13(14(23)15(24-8)16-25-9(2)26-30-16)18(29)27(17(12)28)7-10-3-5-11(6-4-10)19(20,21)22/h3-6H,7,23H2,1-2H3.
What are the key properties of 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 417.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 127035504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).