(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone

C21H17F3N4O — CID 109270011

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C21H17F3N4O/c1-13-10-14-6-2-5-9-18(14)28(13)19(29)15-11-25-20(26-12-15)27-17-8-4-3-7-16(17)21(22,23)24/h2-9,11-13H,10H2,1H3,(H,25,26,27)
InChIKeyDGLFFWGZDXVBQA-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.83
Rot. Bonds3

About (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone (PubChem CID 109270011) has the molecular formula C21H17F3N4O and a molecular weight of 398.39 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
PubChem CID109270011
Molecular FormulaC21H17F3N4O
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C21H17F3N4O/c1-13-10-14-6-2-5-9-18(14)28(13)19(29)15-11-25-20(26-12-15)27-17-8-4-3-7-16(17)21(22,23)24/h2-9,11-13H,10H2,1H3,(H,25,26,27)
InChIKeyDGLFFWGZDXVBQA-UHFFFAOYSA-N
XLogP4.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone 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

[2-(2-ethylanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109267409
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone
CID 109267896
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109269735
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
1-[3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109270088
[2-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109257363
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 95089771
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109247396
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109264180

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone (CID 109270011) is (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone is CC1Cc2ccccc2N1C(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone?
The InChIKey is DGLFFWGZDXVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O/c1-13-10-14-6-2-5-9-18(14)28(13)19(29)15-11-25-20(26-12-15)27-17-8-4-3-7-16(17)21(22,23)24/h2-9,11-13H,10H2,1H3,(H,25,26,27).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone has a molecular weight of 398.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109270011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).