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

C15H20N4O4 — CID 119192684

IUPAC2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H20N4O4/c1-9(2)7-18(8-14(21)22)13(20)6-11-10(3)17-12-4-5-16-19(12)15(11)23/h4-5,9,16H,6-8H2,1-3H3,(H,21,22)
InChIKeyBMLHUAQYEDBPOX-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.44
Rot. Bonds6

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

2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119192684) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119192684
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H20N4O4/c1-9(2)7-18(8-14(21)22)13(20)6-11-10(3)17-12-4-5-16-19(12)15(11)23/h4-5,9,16H,6-8H2,1-3H3,(H,21,22)
InChIKeyBMLHUAQYEDBPOX-UHFFFAOYSA-N
XLogP0.44
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-{5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}-N-propylacetamido)acetic acid
CID 119204817
8-Oxo-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-triene-12-carboxylic acid
CID 67455630
N-ethyl-N-(2-ethylbutyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 53545665
N,N-bis(3-methylbutyl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 60255406
ethyl 3-[cyclopropylmethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]propanoate
CID 60255761
tert-butyl 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-propylamino]acetate
CID 75456601
7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84686494
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
4-methyl-2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 119188028
2-[2-methoxyethyl-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetic acid
CID 119188914
3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190017

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid (CID 119192684) is 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is BMLHUAQYEDBPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-9(2)7-18(8-14(21)22)13(20)6-11-10(3)17-12-4-5-16-19(12)15(11)23/h4-5,9,16H,6-8H2,1-3H3,(H,21,22).
What are the key properties of 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).