6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H25N5O3 — CID 24574898

IUPAC6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(-c3ccco3)nc21
InChIInChI=1S/C24H25N5O3/c1-16(2)29-23-20(15-25-29)19(14-21(27-23)22-4-3-11-32-22)24(30)26-17-5-7-18(8-6-17)28-9-12-31-13-10-28/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,26,30)
InChIKeySTAUKIUJCJUKQZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.36
Rot. Bonds5

About 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24574898) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24574898
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(-c3ccco3)nc21
InChIInChI=1S/C24H25N5O3/c1-16(2)29-23-20(15-25-29)19(14-21(27-23)22-4-3-11-32-22)24(30)26-17-5-7-18(8-6-17)28-9-12-31-13-10-28/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,26,30)
InChIKeySTAUKIUJCJUKQZ-UHFFFAOYSA-N
XLogP4.36
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24574898) is 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(-c3ccco3)nc21.
What is the InChIKey of 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is STAUKIUJCJUKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16(2)29-23-20(15-25-29)19(14-21(27-23)22-4-3-11-32-22)24(30)26-17-5-7-18(8-6-17)28-9-12-31-13-10-28/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,26,30).
What are the key properties of 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24574898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).