(E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one

C10H9N3O5 — CID 137303574

IUPAC(E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one
SMILESO=C(O)/C=C/C(=O)O.O=c1cc[nH]c2[nH]ncc12
InChIInChI=1S/C6H5N3O.C4H4O4/c10-5-1-2-7-6-4(5)3-8-9-6;5-3(6)1-2-4(7)8/h1-3H,(H2,7,8,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyZWHDWFUPPYIJIP-WLHGVMLRSA-N
MW251.20 g/mol
LogP-0.04
Rot. Bonds2

About (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one

(E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303574) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one
PubChem CID137303574
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name(E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one
SMILESO=C(O)/C=C/C(=O)O.O=c1cc[nH]c2[nH]ncc12
InChIInChI=1S/C6H5N3O.C4H4O4/c10-5-1-2-7-6-4(5)3-8-9-6;5-3(6)1-2-4(7)8/h1-3H,(H2,7,8,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyZWHDWFUPPYIJIP-WLHGVMLRSA-N
XLogP-0.04
TPSA136.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one (CID 137303574) is (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one is O=C(O)/C=C/C(=O)O.O=c1cc[nH]c2[nH]ncc12.
What is the InChIKey of (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one?
The InChIKey is ZWHDWFUPPYIJIP-WLHGVMLRSA-N. The full InChI is InChI=1S/C6H5N3O.C4H4O4/c10-5-1-2-7-6-4(5)3-8-9-6;5-3(6)1-2-4(7)8/h1-3H,(H2,7,8,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one?
(E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one has a molecular weight of 251.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;1,7-dihydropyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).