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

C15H18N4O4 — CID 119176406

IUPAC1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H18N4O4/c1-9-10(13(21)19-11(17-9)4-7-16-19)8-12(20)18-15(14(22)23)5-2-3-6-15/h4,7,16H,2-3,5-6,8H2,1H3,(H,18,20)(H,22,23)
InChIKeyFWPBXGBMZFYPAI-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.39
Rot. Bonds4

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

1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119176406) 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]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119176406
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]amino]cyclopentane-1-carboxylic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H18N4O4/c1-9-10(13(21)19-11(17-9)4-7-16-19)8-12(20)18-15(14(22)23)5-2-3-6-15/h4,7,16H,2-3,5-6,8H2,1H3,(H,18,20)(H,22,23)
InChIKeyFWPBXGBMZFYPAI-UHFFFAOYSA-N
XLogP0.39
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.39
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]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 119176406) is 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-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]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FWPBXGBMZFYPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-9-10(13(21)19-11(17-9)4-7-16-19)8-12(20)18-15(14(22)23)5-2-3-6-15/h4,7,16H,2-3,5-6,8H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.39, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).