ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate

C12H15N3O4 — CID 171897561

IUPACethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate
SMILESCCOC(=O)CC(O)C(O)c1cc2cn[nH]c2cn1
InChIInChI=1S/C12H15N3O4/c1-2-19-11(17)4-10(16)12(18)8-3-7-5-14-15-9(7)6-13-8/h3,5-6,10,12,16,18H,2,4H2,1H3,(H,14,15)
InChIKeyZNINXVPBFVAXOS-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.31
Rot. Bonds5

About ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate

ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate (PubChem CID 171897561) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate
PubChem CID171897561
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate
SMILESCCOC(=O)CC(O)C(O)c1cc2cn[nH]c2cn1
InChIInChI=1S/C12H15N3O4/c1-2-19-11(17)4-10(16)12(18)8-3-7-5-14-15-9(7)6-13-8/h3,5-6,10,12,16,18H,2,4H2,1H3,(H,14,15)
InChIKeyZNINXVPBFVAXOS-UHFFFAOYSA-N
XLogP0.31
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate
CID 171856101
ethyl 3,4-dihydroxy-4-(4-methyl-2-pyridinyl)butanoate
CID 171896871
ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate
CID 171897017
ethyl 3,4-dihydroxy-4-(1-oxo-2H-phthalazin-6-yl)butanoate
CID 171898147
ethyl 2,3-dihydroxy-3-(1H-indazol-5-yl)propanoate
CID 171866255
ethyl 4-(3,5-dichloro-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171897131
ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171896822
ethyl 3,4-dihydroxy-4-(5-hydroxypyrimidin-2-yl)butanoate
CID 171896844
ethane;5-propan-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 171795656
ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897021
ethyl 3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)butanoate
CID 171897537
ethyl 3,4-dihydroxy-4-(5-methyl-3-pyridinyl)butanoate
CID 171896867

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate?
The IUPAC name of ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate (CID 171897561) is ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate.
What is the SMILES notation for ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate?
The canonical SMILES for ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate is CCOC(=O)CC(O)C(O)c1cc2cn[nH]c2cn1.
What is the InChIKey of ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate?
The InChIKey is ZNINXVPBFVAXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-2-19-11(17)4-10(16)12(18)8-3-7-5-14-15-9(7)6-13-8/h3,5-6,10,12,16,18H,2,4H2,1H3,(H,14,15).
What are the key properties of ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate?
ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate has a molecular weight of 265.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate is sourced from PubChem (CID 171897561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).