2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid

C17H24N4O5 — CID 142565067

IUPAC2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid
SMILESCOCCN(C)Cc1c(C=O)n(CC(=O)O)c2cc(C(C)C)nn2c1=O
InChIInChI=1S/C17H24N4O5/c1-11(2)13-7-15-20(9-16(23)24)14(10-22)12(17(25)21(15)18-13)8-19(3)5-6-26-4/h7,10-11H,5-6,8-9H2,1-4H3,(H,23,24)
InChIKeyPQIIBRSTVIJMLF-UHFFFAOYSA-N
MW364.40 g/mol
LogP0.59
Rot. Bonds9

About 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid

2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid (PubChem CID 142565067) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid
PubChem CID142565067
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid
SMILESCOCCN(C)Cc1c(C=O)n(CC(=O)O)c2cc(C(C)C)nn2c1=O
InChIInChI=1S/C17H24N4O5/c1-11(2)13-7-15-20(9-16(23)24)14(10-22)12(17(25)21(15)18-13)8-19(3)5-6-26-4/h7,10-11H,5-6,8-9H2,1-4H3,(H,23,24)
InChIKeyPQIIBRSTVIJMLF-UHFFFAOYSA-N
XLogP0.59
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid (CID 142565067) is 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid is COCCN(C)Cc1c(C=O)n(CC(=O)O)c2cc(C(C)C)nn2c1=O.
What is the InChIKey of 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The InChIKey is PQIIBRSTVIJMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-11(2)13-7-15-20(9-16(23)24)14(10-22)12(17(25)21(15)18-13)8-19(3)5-6-26-4/h7,10-11H,5-6,8-9H2,1-4H3,(H,23,24).
What are the key properties of 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid has a molecular weight of 364.40 g/mol, XLogP of 0.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 142565067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).