5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one

C22H20F3N5O2 — CID 24670227

IUPAC5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1c(C)cc(C(=O)Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)c1C
InChIInChI=1S/C22H20F3N5O2/c1-4-29-13(2)8-17(14(29)3)19(31)11-28-12-26-20-18(21(28)32)10-27-30(20)16-7-5-6-15(9-16)22(23,24)25/h5-10,12H,4,11H2,1-3H3
InChIKeyZGOHRDJYTPEISL-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.92
Rot. Bonds5

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

5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 24670227) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID24670227
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1c(C)cc(C(=O)Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)c1C
InChIInChI=1S/C22H20F3N5O2/c1-4-29-13(2)8-17(14(29)3)19(31)11-28-12-26-20-18(21(28)32)10-27-30(20)16-7-5-6-15(9-16)22(23,24)25/h5-10,12H,4,11H2,1-3H3
InChIKeyZGOHRDJYTPEISL-UHFFFAOYSA-N
XLogP3.92
TPSA74.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-5-(trimethylsilylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 56529698
N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 55545337
5-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7680054
N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 24670187
N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 55547197
5-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 24661773
2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyethyl)acetamide
CID 24670234
5-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7680112
2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55546535
5-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 112813066
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 16507556
1-(3-chlorophenyl)-5-[2-(4-chlorophenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243770

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 24670227) is 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one is CCn1c(C)cc(C(=O)Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)c1C.
What is the InChIKey of 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZGOHRDJYTPEISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-4-29-13(2)8-17(14(29)3)19(31)11-28-12-26-20-18(21(28)32)10-27-30(20)16-7-5-6-15(9-16)22(23,24)25/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 443.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 24670227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).