2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone

C20H15F3N4O — CID 109356630

IUPAC2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
SMILESO=C(c1cc(Nc2cccc(C(F)(F)F)c2)ncn1)N1CCc2ccccc21
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)14-5-3-6-15(10-14)26-18-11-16(24-12-25-18)19(28)27-9-8-13-4-1-2-7-17(13)27/h1-7,10-12H,8-9H2,(H,24,25,26)
InChIKeyHMUMVAXNPMWJQG-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.44
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone

2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone (PubChem CID 109356630) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
PubChem CID109356630
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
SMILESO=C(c1cc(Nc2cccc(C(F)(F)F)c2)ncn1)N1CCc2ccccc21
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)14-5-3-6-15(10-14)26-18-11-16(24-12-25-18)19(28)27-9-8-13-4-1-2-7-17(13)27/h1-7,10-12H,8-9H2,(H,24,25,26)
InChIKeyHMUMVAXNPMWJQG-UHFFFAOYSA-N
XLogP4.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109176438
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109356603
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109356472
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109356624
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347072
4-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113192978

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone (CID 109356630) is 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone is O=C(c1cc(Nc2cccc(C(F)(F)F)c2)ncn1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone?
The InChIKey is HMUMVAXNPMWJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c21-20(22,23)14-5-3-6-15(10-14)26-18-11-16(24-12-25-18)19(28)27-9-8-13-4-1-2-7-17(13)27/h1-7,10-12H,8-9H2,(H,24,25,26).
What are the key properties of 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone has a molecular weight of 384.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109356630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).