[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C26H27N5O4 — CID 41404505

IUPAC[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)n1ncc2c(C(=O)OCC(=O)Nc3ccc(N4CCCC4)cc3)cc(-c3ccco3)nc21
InChIInChI=1S/C26H27N5O4/c1-17(2)31-25-21(15-27-31)20(14-22(29-25)23-6-5-13-34-23)26(33)35-16-24(32)28-18-7-9-19(10-8-18)30-11-3-4-12-30/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3,(H,28,32)
InChIKeyJLQHMCXSOFVNRJ-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.67
Rot. Bonds7

About [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 41404505) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID41404505
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)n1ncc2c(C(=O)OCC(=O)Nc3ccc(N4CCCC4)cc3)cc(-c3ccco3)nc21
InChIInChI=1S/C26H27N5O4/c1-17(2)31-25-21(15-27-31)20(14-22(29-25)23-6-5-13-34-23)26(33)35-16-24(32)28-18-7-9-19(10-8-18)30-11-3-4-12-30/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3,(H,28,32)
InChIKeyJLQHMCXSOFVNRJ-UHFFFAOYSA-N
XLogP4.67
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 41404505) is [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(C)n1ncc2c(C(=O)OCC(=O)Nc3ccc(N4CCCC4)cc3)cc(-c3ccco3)nc21.
What is the InChIKey of [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is JLQHMCXSOFVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-17(2)31-25-21(15-27-31)20(14-22(29-25)23-6-5-13-34-23)26(33)35-16-24(32)28-18-7-9-19(10-8-18)30-11-3-4-12-30/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3,(H,28,32).
What are the key properties of [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 473.53 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 41404505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).