2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide

C20H19N5O3 — CID 5310133

IUPAC2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1C
InChIInChI=1S/C20H19N5O3/c1-13-5-6-15(8-14(13)2)25-19-17(10-23-25)20(27)24(12-22-19)11-18(26)21-9-16-4-3-7-28-16/h3-8,10,12H,9,11H2,1-2H3,(H,21,26)
InChIKeyMHDDMJBRJRIJFG-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.11
Rot. Bonds5

About 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide

2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 5310133) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID5310133
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1C
InChIInChI=1S/C20H19N5O3/c1-13-5-6-15(8-14(13)2)25-19-17(10-23-25)20(27)24(12-22-19)11-18(26)21-9-16-4-3-7-28-16/h3-8,10,12H,9,11H2,1-2H3,(H,21,26)
InChIKeyMHDDMJBRJRIJFG-UHFFFAOYSA-N
XLogP2.11
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide (CID 5310133) is 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide is Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is MHDDMJBRJRIJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13-5-6-15(8-14(13)2)25-19-17(10-23-25)20(27)24(12-22-19)11-18(26)21-9-16-4-3-7-28-16/h3-8,10,12H,9,11H2,1-2H3,(H,21,26).
What are the key properties of 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5310133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).