[2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C26H26N4O6 — CID 46692898

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C26H26N4O6/c1-14(2)30-24-21(12-27-30)20(11-22(29-24)19-10-15(3)36-16(19)4)26(33)35-13-23(31)28-18-8-6-17(7-9-18)25(32)34-5/h6-12,14H,13H2,1-5H3,(H,28,31)
InChIKeyWOYCGWZJBQKUSJ-UHFFFAOYSA-N
MW490.52 g/mol
LogP4.47
Rot. Bonds7

About [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46692898) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID46692898
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C26H26N4O6/c1-14(2)30-24-21(12-27-30)20(11-22(29-24)19-10-15(3)36-16(19)4)26(33)35-13-23(31)28-18-8-6-17(7-9-18)25(32)34-5/h6-12,14H,13H2,1-5H3,(H,28,31)
InChIKeyWOYCGWZJBQKUSJ-UHFFFAOYSA-N
XLogP4.47
TPSA125.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495388
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693022
[2-(3-methylbutylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693193
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693104
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495539
N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494613
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495888
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
(4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 16590545
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
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-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46692898) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is WOYCGWZJBQKUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-14(2)30-24-21(12-27-30)20(11-22(29-24)19-10-15(3)36-16(19)4)26(33)35-13-23(31)28-18-8-6-17(7-9-18)25(32)34-5/h6-12,14H,13H2,1-5H3,(H,28,31).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 490.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46692898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).