1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol

C9H11N3O5 — CID 175416298

IUPAC1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol
SMILESNc1c(OC(O)(O)C(O)O)nn2ccccc12
InChIInChI=1S/C9H11N3O5/c10-6-5-3-1-2-4-12(5)11-7(6)17-9(15,16)8(13)14/h1-4,8,13-16H,10H2
InChIKeyXHSQDTUVNGLDIC-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.76
Rot. Bonds3

About 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol

1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol (PubChem CID 175416298) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol.

Molecular Properties

Compound Name1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol
PubChem CID175416298
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol
SMILESNc1c(OC(O)(O)C(O)O)nn2ccccc12
InChIInChI=1S/C9H11N3O5/c10-6-5-3-1-2-4-12(5)11-7(6)17-9(15,16)8(13)14/h1-4,8,13-16H,10H2
InChIKeyXHSQDTUVNGLDIC-UHFFFAOYSA-N
XLogP-1.76
TPSA133.47 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyacetic acid
CID 175009930
2-(3-amino-4-methyl-3-propan-2-ylpentoxy)pyrazolo[1,5-a]pyridin-3-amine
CID 69137159
2-[2-(2-ethoxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 121418957
3-aminopyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 12011916
[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]methanol
CID 69031978
2-[2-[butyl(methyl)amino]ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 123664147
2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium
CID 163553306
2-N-propylpyrazolo[1,5-a]pyridine-2,3-diamine
CID 90445488
2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine
CID 91347487
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
CID 90976922
2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-methyl-di(propan-2-yl)azanium;chloride;dihydrochloride
CID 68814595

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol?
The IUPAC name of 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol (CID 175416298) is 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol.
What is the SMILES notation for 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol?
The canonical SMILES for 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol is Nc1c(OC(O)(O)C(O)O)nn2ccccc12.
What is the InChIKey of 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol?
The InChIKey is XHSQDTUVNGLDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c10-6-5-3-1-2-4-12(5)11-7(6)17-9(15,16)8(13)14/h1-4,8,13-16H,10H2.
What are the key properties of 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol?
1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol has a molecular weight of 241.20 g/mol, XLogP of -1.76, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethane-1,1,2,2-tetrol is sourced from PubChem (CID 175416298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).