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

C16H20N4O4 — CID 119115396

IUPAC1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H20N4O4/c1-10-11(14(22)20-12(18-10)5-8-17-20)9-13(21)19-16(15(23)24)6-3-2-4-7-16/h5,8,17H,2-4,6-7,9H2,1H3,(H,19,21)(H,23,24)
InChIKeyGDPVUYIWUPWJQA-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.78
Rot. Bonds4

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

1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119115396) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119115396
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H20N4O4/c1-10-11(14(22)20-12(18-10)5-8-17-20)9-13(21)19-16(15(23)24)6-3-2-4-7-16/h5,8,17H,2-4,6-7,9H2,1H3,(H,19,21)(H,23,24)
InChIKeyGDPVUYIWUPWJQA-UHFFFAOYSA-N
XLogP0.78
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
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]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 119115396) is 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GDPVUYIWUPWJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10-11(14(22)20-12(18-10)5-8-17-20)9-13(21)19-16(15(23)24)6-3-2-4-7-16/h5,8,17H,2-4,6-7,9H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 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]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119115396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).