2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid

C20H24N4O4 — CID 119359044

IUPAC2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid
SMILESCc1cc(-c2cc(C(=O)N(C)C(C)C(=O)O)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C20H24N4O4/c1-10(2)24-18-16(9-21-24)15(19(25)23(6)12(4)20(26)27)8-17(22-18)14-7-11(3)28-13(14)5/h7-10,12H,1-6H3,(H,26,27)
InChIKeyRAKCDVKGVVRHDJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.43
Rot. Bonds5

About 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid

2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid (PubChem CID 119359044) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid
PubChem CID119359044
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid
SMILESCc1cc(-c2cc(C(=O)N(C)C(C)C(=O)O)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C20H24N4O4/c1-10(2)24-18-16(9-21-24)15(19(25)23(6)12(4)20(26)27)8-17(22-18)14-7-11(3)28-13(14)5/h7-10,12H,1-6H3,(H,26,27)
InChIKeyRAKCDVKGVVRHDJ-UHFFFAOYSA-N
XLogP3.43
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55595224
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112807922
6-(2,5-dimethylfuran-3-yl)-N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207119
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
N-butyl-6-(2,5-dimethylfuran-3-yl)-N-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18268870
N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylfuran-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18283947
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
6-(2,5-dimethylfuran-3-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55776597
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 135953917
N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119405283

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid (CID 119359044) is 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid is Cc1cc(-c2cc(C(=O)N(C)C(C)C(=O)O)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid?
The InChIKey is RAKCDVKGVVRHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-10(2)24-18-16(9-21-24)15(19(25)23(6)12(4)20(26)27)8-17(22-18)14-7-11(3)28-13(14)5/h7-10,12H,1-6H3,(H,26,27).
What are the key properties of 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid?
2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid has a molecular weight of 384.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119359044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).