1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid

C15H18N4O4 — CID 119167195

IUPAC1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H18N4O4/c1-9-11(14(21)19-12(17-9)4-5-16-19)7-13(20)18-6-2-3-10(8-18)15(22)23/h4-5,10,16H,2-3,6-8H2,1H3,(H,22,23)
InChIKeyHHCJPVXUKRAREL-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.20
Rot. Bonds3

About 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 119167195) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID119167195
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H18N4O4/c1-9-11(14(21)19-12(17-9)4-5-16-19)7-13(20)18-6-2-3-10(8-18)15(22)23/h4-5,10,16H,2-3,6-8H2,1H3,(H,22,23)
InChIKeyHHCJPVXUKRAREL-UHFFFAOYSA-N
XLogP0.20
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid (CID 119167195) is 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is HHCJPVXUKRAREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-9-11(14(21)19-12(17-9)4-5-16-19)7-13(20)18-6-2-3-10(8-18)15(22)23/h4-5,10,16H,2-3,6-8H2,1H3,(H,22,23).
What are the key properties of 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).