N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C20H17N5O3 — CID 655913

IUPACN-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C20H17N5O3/c1-28-17-10-6-5-9-16(17)23-18(26)12-24-13-21-19-15(20(24)27)11-22-25(19)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyXBQBKLJBTLDWFD-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.23
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 655913) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID655913
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C20H17N5O3/c1-28-17-10-6-5-9-16(17)23-18(26)12-24-13-21-19-15(20(24)27)11-22-25(19)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyXBQBKLJBTLDWFD-UHFFFAOYSA-N
XLogP2.23
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 655913) is N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is XBQBKLJBTLDWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-17-10-6-5-9-16(17)23-18(26)12-24-13-21-19-15(20(24)27)11-22-25(19)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 375.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 655913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).