ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate

C19H22N4O4 — CID 127043620

IUPACethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate
SMILESCCOCc1nc2c(c(C)nn2-c2ccccc2)c(=O)n1CC(=O)OCC
InChIInChI=1S/C19H22N4O4/c1-4-26-12-15-20-18-17(19(25)22(15)11-16(24)27-5-2)13(3)21-23(18)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKeyAWVZCSVJBCNSSP-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.99
Rot. Bonds7

About ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate

ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate (PubChem CID 127043620) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate
PubChem CID127043620
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nameethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate
SMILESCCOCc1nc2c(c(C)nn2-c2ccccc2)c(=O)n1CC(=O)OCC
InChIInChI=1S/C19H22N4O4/c1-4-26-12-15-20-18-17(19(25)22(15)11-16(24)27-5-2)13(3)21-23(18)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKeyAWVZCSVJBCNSSP-UHFFFAOYSA-N
XLogP1.99
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036
ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate
CID 13290921
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 2341331
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate
CID 110429856
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743223
[2-(N-methylanilino)-2-oxoethyl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 4543520
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 18802094
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate (CID 127043620) is ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate is CCOCc1nc2c(c(C)nn2-c2ccccc2)c(=O)n1CC(=O)OCC.
What is the InChIKey of ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate?
The InChIKey is AWVZCSVJBCNSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-4-26-12-15-20-18-17(19(25)22(15)11-16(24)27-5-2)13(3)21-23(18)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate?
ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate has a molecular weight of 370.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate is sourced from PubChem (CID 127043620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).