benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate

C22H20N4O4 — CID 35186695

IUPACbenzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCC(=O)OCc3ccccc3)c12
InChIInChI=1S/C22H20N4O4/c1-14-20-16(11-17(18-9-6-10-29-18)24-21(20)26(2)25-14)22(28)23-12-19(27)30-13-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,23,28)
InChIKeyGWKDMKRLPLAUMG-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.01
Rot. Bonds6

About benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate

benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate (PubChem CID 35186695) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
PubChem CID35186695
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Namebenzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCC(=O)OCc3ccccc3)c12
InChIInChI=1S/C22H20N4O4/c1-14-20-16(11-17(18-9-6-10-29-18)24-21(20)26(2)25-14)22(28)23-12-19(27)30-13-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,23,28)
InChIKeyGWKDMKRLPLAUMG-UHFFFAOYSA-N
XLogP3.01
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate with MolForge

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Related Compounds

6-(furan-2-yl)-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46508693
6-(furan-2-yl)-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 37172394
6-(furan-2-yl)-1,3-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 33122675
diethyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanedioate
CID 55513345
6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31866868
6-(furan-2-yl)-1,3-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55962171
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822827
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55520262
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
6-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134037006
6-(furan-2-yl)-1,3-dimethyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55971926

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The IUPAC name of benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate (CID 35186695) is benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCC(=O)OCc3ccccc3)c12.
What is the InChIKey of benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The InChIKey is GWKDMKRLPLAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-14-20-16(11-17(18-9-6-10-29-18)24-21(20)26(2)25-14)22(28)23-12-19(27)30-13-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,23,28).
What are the key properties of benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate has a molecular weight of 404.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate is sourced from PubChem (CID 35186695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).