2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide

C24H24FN5O3 — CID 42391345

IUPAC2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
InChIInChI=1S/C24H24FN5O3/c1-2-33-19-9-7-17(8-10-19)13-22(31)26-11-12-30-23-20(14-28-30)24(32)29(16-27-23)15-18-5-3-4-6-21(18)25/h3-10,14,16H,2,11-13,15H2,1H3,(H,26,31)
InChIKeyYLQZSARMEZDWEE-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.54
Rot. Bonds9

About 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide

2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (PubChem CID 42391345) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
PubChem CID42391345
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
InChIInChI=1S/C24H24FN5O3/c1-2-33-19-9-7-17(8-10-19)13-22(31)26-11-12-30-23-20(14-28-30)24(32)29(16-27-23)15-18-5-3-4-6-21(18)25/h3-10,14,16H,2,11-13,15H2,1H3,(H,26,31)
InChIKeyYLQZSARMEZDWEE-UHFFFAOYSA-N
XLogP2.54
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (CID 42391345) is 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is CCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The InChIKey is YLQZSARMEZDWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-2-33-19-9-7-17(8-10-19)13-22(31)26-11-12-30-23-20(14-28-30)24(32)29(16-27-23)15-18-5-3-4-6-21(18)25/h3-10,14,16H,2,11-13,15H2,1H3,(H,26,31).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide has a molecular weight of 449.49 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 42391345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).