methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate

C10H12N4O4 — CID 136660441

IUPACmethyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate
SMILESCOC(=O)CCn1nc2cc(O)[nH]c(=O)c2c1N
InChIInChI=1S/C10H12N4O4/c1-18-7(16)2-3-14-9(11)8-5(13-14)4-6(15)12-10(8)17/h4,15H,2-3,11H2,1H3,(H,12,17)
InChIKeyIJQIJXBMNSGMJF-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.42
Rot. Bonds3

About methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate

methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate (PubChem CID 136660441) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate
PubChem CID136660441
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Namemethyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate
SMILESCOC(=O)CCn1nc2cc(O)[nH]c(=O)c2c1N
InChIInChI=1S/C10H12N4O4/c1-18-7(16)2-3-14-9(11)8-5(13-14)4-6(15)12-10(8)17/h4,15H,2-3,11H2,1H3,(H,12,17)
InChIKeyIJQIJXBMNSGMJF-UHFFFAOYSA-N
XLogP-0.42
TPSA123.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate?
The IUPAC name of methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate (CID 136660441) is methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate?
The canonical SMILES for methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate is COC(=O)CCn1nc2cc(O)[nH]c(=O)c2c1N.
What is the InChIKey of methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate?
The InChIKey is IJQIJXBMNSGMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-18-7(16)2-3-14-9(11)8-5(13-14)4-6(15)12-10(8)17/h4,15H,2-3,11H2,1H3,(H,12,17).
What are the key properties of methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate?
methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate has a molecular weight of 252.23 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-6-hydroxy-4-oxo-5H-pyrazolo[4,3-c]pyridin-2-yl)propanoate is sourced from PubChem (CID 136660441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).