5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one

C23H18F3N5O2 — CID 2341331

IUPAC5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(-c2ccccc2)c2nc(C(F)(F)F)n(CC(=O)N3CCc4ccccc43)c(=O)c12
InChIInChI=1S/C23H18F3N5O2/c1-14-19-20(31(28-14)16-8-3-2-4-9-16)27-22(23(24,25)26)30(21(19)33)13-18(32)29-12-11-15-7-5-6-10-17(15)29/h2-10H,11-13H2,1H3
InChIKeyUFJJOCCLBRHNLR-UHFFFAOYSA-N
MW453.42 g/mol
LogP3.50
Rot. Bonds3

About 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2341331) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2341331
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(-c2ccccc2)c2nc(C(F)(F)F)n(CC(=O)N3CCc4ccccc43)c(=O)c12
InChIInChI=1S/C23H18F3N5O2/c1-14-19-20(31(28-14)16-8-3-2-4-9-16)27-22(23(24,25)26)30(21(19)33)13-18(32)29-12-11-15-7-5-6-10-17(15)29/h2-10H,11-13H2,1H3
InChIKeyUFJJOCCLBRHNLR-UHFFFAOYSA-N
XLogP3.50
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 20932001
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1088466
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71910003
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846385
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-ethylquinazolin-4-one
CID 860000
5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882195
ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 127043620
6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 46279373
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanone
CID 20888140
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide
CID 95855962
8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
CID 146070267

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 2341331) is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)n(CC(=O)N3CCc4ccccc43)c(=O)c12.
What is the InChIKey of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UFJJOCCLBRHNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c1-14-19-20(31(28-14)16-8-3-2-4-9-16)27-22(23(24,25)26)30(21(19)33)13-18(32)29-12-11-15-7-5-6-10-17(15)29/h2-10H,11-13H2,1H3.
What are the key properties of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 453.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2341331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).