[2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

C16H14N4O5 — CID 31653648

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OCC(=O)NC(=O)c3ccco3)cc12
InChIInChI=1S/C16H14N4O5/c1-9-11-6-10(7-17-14(11)20(2)19-9)16(23)25-8-13(21)18-15(22)12-4-3-5-24-12/h3-7H,8H2,1-2H3,(H,18,21,22)
InChIKeyCDKQSFUIJUSKPI-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.98
Rot. Bonds4

About [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

[2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 31653648) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID31653648
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OCC(=O)NC(=O)c3ccco3)cc12
InChIInChI=1S/C16H14N4O5/c1-9-11-6-10(7-17-14(11)20(2)19-9)16(23)25-8-13(21)18-15(22)12-4-3-5-24-12/h3-7H,8H2,1-2H3,(H,18,21,22)
InChIKeyCDKQSFUIJUSKPI-UHFFFAOYSA-N
XLogP0.98
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(diethylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46519914
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31615030
[2-(4-tert-butylphenyl)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513987
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 112551049
[2-(2,5-diethylphenyl)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31651791
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46514004
2-(3-methylphenoxy)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513991
N'-(furan-2-carbonyl)-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 6736200
2-(3,5-dimethylphenoxy)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 47019045
[2-(furan-2-carbonylamino)-2-oxoethyl] 1-[(2,6-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 55458607
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31615743

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 31653648) is [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is Cc1nn(C)c2ncc(C(=O)OCC(=O)NC(=O)c3ccco3)cc12.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is CDKQSFUIJUSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-9-11-6-10(7-17-14(11)20(2)19-9)16(23)25-8-13(21)18-15(22)12-4-3-5-24-12/h3-7H,8H2,1-2H3,(H,18,21,22).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 342.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 31653648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).