2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

C17H26N6O2 — CID 39947293

IUPAC2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1
InChIInChI=1S/C17H26N6O2/c1-13-4-8-22(9-5-13)7-3-6-18-15(24)11-23-12-19-16-14(17(23)25)10-20-21(16)2/h10,12-13H,3-9,11H2,1-2H3,(H,18,24)
InChIKeyWOBHREFODHYWPL-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.37
Rot. Bonds6

About 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 39947293) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID39947293
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1
InChIInChI=1S/C17H26N6O2/c1-13-4-8-22(9-5-13)7-3-6-18-15(24)11-23-12-19-16-14(17(23)25)10-20-21(16)2/h10,12-13H,3-9,11H2,1-2H3,(H,18,24)
InChIKeyWOBHREFODHYWPL-UHFFFAOYSA-N
XLogP0.37
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (CID 39947293) is 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is CC1CCN(CCCNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1.
What is the InChIKey of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is WOBHREFODHYWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13-4-8-22(9-5-13)7-3-6-18-15(24)11-23-12-19-16-14(17(23)25)10-20-21(16)2/h10,12-13H,3-9,11H2,1-2H3,(H,18,24).
What are the key properties of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 39947293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).