2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide

C17H19N5O3 — CID 1433695

IUPAC2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-n2ncc3c(=O)n(CC(=O)NC(C)C)cnc32)cc1
InChIInChI=1S/C17H19N5O3/c1-11(2)20-15(23)9-21-10-18-16-14(17(21)24)8-19-22(16)12-4-6-13(25-3)7-5-12/h4-8,10-11H,9H2,1-3H3,(H,20,23)
InChIKeyVTAHZZJEIFMVLO-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.12
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide

2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide (PubChem CID 1433695) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide
PubChem CID1433695
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-n2ncc3c(=O)n(CC(=O)NC(C)C)cnc32)cc1
InChIInChI=1S/C17H19N5O3/c1-11(2)20-15(23)9-21-10-18-16-14(17(21)24)8-19-22(16)12-4-6-13(25-3)7-5-12/h4-8,10-11H,9H2,1-3H3,(H,20,23)
InChIKeyVTAHZZJEIFMVLO-UHFFFAOYSA-N
XLogP1.12
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide (CID 1433695) is 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide is COc1ccc(-n2ncc3c(=O)n(CC(=O)NC(C)C)cnc32)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide?
The InChIKey is VTAHZZJEIFMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11(2)20-15(23)9-21-10-18-16-14(17(21)24)8-19-22(16)12-4-6-13(25-3)7-5-12/h4-8,10-11H,9H2,1-3H3,(H,20,23).
What are the key properties of 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide?
2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide has a molecular weight of 341.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 1433695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).