N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide

C15H22N6O3 — CID 53196402

IUPACN-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
SMILESCOCCCNC(=O)Cn1ncc2c(N3CCOCC3)ncnc21
InChIInChI=1S/C15H22N6O3/c1-23-6-2-3-16-13(22)10-21-15-12(9-19-21)14(17-11-18-15)20-4-7-24-8-5-20/h9,11H,2-8,10H2,1H3,(H,16,22)
InChIKeyFIZFKGSUKCNGSE-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.18
Rot. Bonds7

About N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide

N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide (PubChem CID 53196402) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
PubChem CID53196402
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC NameN-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
SMILESCOCCCNC(=O)Cn1ncc2c(N3CCOCC3)ncnc21
InChIInChI=1S/C15H22N6O3/c1-23-6-2-3-16-13(22)10-21-15-12(9-19-21)14(17-11-18-15)20-4-7-24-8-5-20/h9,11H,2-8,10H2,1H3,(H,16,22)
InChIKeyFIZFKGSUKCNGSE-UHFFFAOYSA-N
XLogP-0.18
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide (CID 53196402) is N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide is COCCCNC(=O)Cn1ncc2c(N3CCOCC3)ncnc21.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The InChIKey is FIZFKGSUKCNGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-23-6-2-3-16-13(22)10-21-15-12(9-19-21)14(17-11-18-15)20-4-7-24-8-5-20/h9,11H,2-8,10H2,1H3,(H,16,22).
What are the key properties of N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 53196402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).