propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate

C20H24N4O4 — CID 51292319

IUPACpropan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
InChIInChI=1S/C20H24N4O4/c1-12(2)24-19-15(11-22-24)14(10-16(23-19)17-6-5-9-27-17)20(26)21-8-7-18(25)28-13(3)4/h5-6,9-13H,7-8H2,1-4H3,(H,21,26)
InChIKeyMXHHPPVKQYFLLF-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.34
Rot. Bonds7

About propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate

propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate (PubChem CID 51292319) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
PubChem CID51292319
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Namepropan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
InChIInChI=1S/C20H24N4O4/c1-12(2)24-19-15(11-22-24)14(10-16(23-19)17-6-5-9-27-17)20(26)21-8-7-18(25)28-13(3)4/h5-6,9-13H,7-8H2,1-4H3,(H,21,26)
InChIKeyMXHHPPVKQYFLLF-UHFFFAOYSA-N
XLogP3.34
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate (CID 51292319) is propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate is CC(C)OC(=O)CCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.
What is the InChIKey of propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate?
The InChIKey is MXHHPPVKQYFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12(2)24-19-15(11-22-24)14(10-16(23-19)17-6-5-9-27-17)20(26)21-8-7-18(25)28-13(3)4/h5-6,9-13H,7-8H2,1-4H3,(H,21,26).
What are the key properties of propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate?
propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate has a molecular weight of 384.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 51292319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).