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

C15H20N4O4 — CID 119188028

IUPAC4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C15H20N4O4/c1-8(2)6-11(15(22)23)18-13(20)7-10-9(3)17-12-4-5-16-19(12)14(10)21/h4-5,8,11,16H,6-7H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyQODMWIIRDSGGCS-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.49
Rot. Bonds6

About 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid

4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid (PubChem CID 119188028) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
PubChem CID119188028
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C15H20N4O4/c1-8(2)6-11(15(22)23)18-13(20)7-10-9(3)17-12-4-5-16-19(12)14(10)21/h4-5,8,11,16H,6-7H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyQODMWIIRDSGGCS-UHFFFAOYSA-N
XLogP0.49
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

2-(2-{5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}-N-propylacetamido)acetic acid
CID 119204817
N-(2-hydroxy-2,3-dimethylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 111463716
N-(2-hydroxy-2,5-dimethylhexyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 111485511
N-(2-hydroxy-4-methylpentyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 112297538
1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119115396
3-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 119169844
1-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 119175779
1-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176406
2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid
CID 119188914
2-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 119191881
2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192684
(2S,3S)-3-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 119193774

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid (CID 119188028) is 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid?
The InChIKey is QODMWIIRDSGGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-8(2)6-11(15(22)23)18-13(20)7-10-9(3)17-12-4-5-16-19(12)14(10)21/h4-5,8,11,16H,6-7H2,1-3H3,(H,18,20)(H,22,23).
What are the key properties of 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid?
4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid has a molecular weight of 320.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119188028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).