4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C18H12F3N5O3 — CID 169329429

IUPAC4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cnn(-c2ccc(C(F)(F)F)cc2-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C18H12F3N5O3/c1-8-6-23-25(7-8)11-3-2-9(18(19,20)21)4-12(11)26-13(27)5-10-14(15(26)22)17(29)24-16(10)28/h2-7H,22H2,1H3,(H,24,28,29)
InChIKeyBWNAXBOANPZHPF-UHFFFAOYSA-N
MW403.32 g/mol
LogP1.82
Rot. Bonds2

About 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329429) has the molecular formula C18H12F3N5O3 and a molecular weight of 403.32 g/mol. Its IUPAC name is 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329429
Molecular FormulaC18H12F3N5O3
Molecular Weight403.32 g/mol
Exact Mass403.09
IUPAC Name4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cnn(-c2ccc(C(F)(F)F)cc2-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C18H12F3N5O3/c1-8-6-23-25(7-8)11-3-2-9(18(19,20)21)4-12(11)26-13(27)5-10-14(15(26)22)17(29)24-16(10)28/h2-7H,22H2,1H3,(H,24,28,29)
InChIKeyBWNAXBOANPZHPF-UHFFFAOYSA-N
XLogP1.82
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330008
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-(trifluoromethyl)benzonitrile
CID 169327176
4-amino-5-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328885
4-amino-5-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327699
4-amino-5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331408
4-amino-5-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329185
4-amino-5-(4-tert-butyl-2-nitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326823
4-amino-5-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329441
4-amino-5-[3-(trifluoromethyl)dibenzo-p-dioxin-1-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330571
4-amino-5-(2-bromo-4-fluoro-3-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329631
4-amino-5-(4-fluoro-2-iodo-3-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329625
4-amino-5-(2,3,4-trifluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326725

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329429) is 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Cc1cnn(-c2ccc(C(F)(F)F)cc2-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1.
What is the InChIKey of 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is BWNAXBOANPZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O3/c1-8-6-23-25(7-8)11-3-2-9(18(19,20)21)4-12(11)26-13(27)5-10-14(15(26)22)17(29)24-16(10)28/h2-7H,22H2,1H3,(H,24,28,29).
What are the key properties of 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 403.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).