2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde

C25H25F3N4O3 — CID 142336847

IUPAC2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde
SMILESCNCC(=O)c1cccc(NC)c1.O=Cc1ccn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C15H11F3N2O2.C10H14N2O/c16-15(17,18)11-1-3-12(4-2-11)20-8-7-19-6-5-10(9-21)13(19)14(20)22;1-11-7-10(13)8-4-3-5-9(6-8)12-2/h1-6,9H,7-8H2;3-6,11-12H,7H2,1-2H3
InChIKeyNDEAGQXGLOSOSY-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.11
Rot. Bonds6

About 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde

2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde (PubChem CID 142336847) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde
PubChem CID142336847
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde
SMILESCNCC(=O)c1cccc(NC)c1.O=Cc1ccn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C15H11F3N2O2.C10H14N2O/c16-15(17,18)11-1-3-12(4-2-11)20-8-7-19-6-5-10(9-21)13(19)14(20)22;1-11-7-10(13)8-4-3-5-9(6-8)12-2/h1-6,9H,7-8H2;3-6,11-12H,7H2,1-2H3
InChIKeyNDEAGQXGLOSOSY-UHFFFAOYSA-N
XLogP4.11
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde 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-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carbaldehyde
CID 174163488
7-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde
CID 134463471
3-(methylamino)benzoic acid;2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]acetaldehyde
CID 142854761
1-oxo-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463452
6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463396
4-(methylamino)pyridine-2-carbonitrile;4-oxo-5-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carbaldehyde
CID 170712865
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693863
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146409402
tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate
CID 117415391
methyl 1-oxo-2-[4-(trifluoromethyl)phenyl]-3H-isoindole-4-carboxylate
CID 67992519
3-[1-(6-amino-2-pyridinyl)azetidin-3-yl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 126538564
N-(3-cyanophenyl)-5-[4-(1,1-difluoropropyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712893

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde?
The IUPAC name of 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde (CID 142336847) is 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde.
What is the SMILES notation for 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde?
The canonical SMILES for 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde is CNCC(=O)c1cccc(NC)c1.O=Cc1ccn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde?
The InChIKey is NDEAGQXGLOSOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2.C10H14N2O/c16-15(17,18)11-1-3-12(4-2-11)20-8-7-19-6-5-10(9-21)13(19)14(20)22;1-11-7-10(13)8-4-3-5-9(6-8)12-2/h1-6,9H,7-8H2;3-6,11-12H,7H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde?
2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde has a molecular weight of 486.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(methylamino)phenyl]ethanone;1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbaldehyde is sourced from PubChem (CID 142336847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).