[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

C27H26N4O5 — CID 55495539

IUPAC[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
SMILESCc1cc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C27H26N4O5/c1-14(2)31-26-21(12-28-31)20(11-23(30-26)19-9-15(3)36-16(19)4)27(34)35-13-24(32)18-5-7-22-17(10-18)6-8-25(33)29-22/h5,7,9-12,14H,6,8,13H2,1-4H3,(H,29,33)
InChIKeyBOGGDQDMJIVIQD-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.81
Rot. Bonds6

About [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

[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 (PubChem CID 55495539) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID55495539
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name[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
SMILESCc1cc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C27H26N4O5/c1-14(2)31-26-21(12-28-31)20(11-23(30-26)19-9-15(3)36-16(19)4)27(34)35-13-24(32)18-5-7-22-17(10-18)6-8-25(33)29-22/h5,7,9-12,14H,6,8,13H2,1-4H3,(H,29,33)
InChIKeyBOGGDQDMJIVIQD-UHFFFAOYSA-N
XLogP4.81
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46692898
[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-[(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-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-(2-methylmorpholin-4-yl)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495888
(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-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid
CID 119359044
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 55366832
N-[1-(aminomethyl)cyclopentyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119565233
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of [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?
The InChIKey is BOGGDQDMJIVIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-14(2)31-26-21(12-28-31)20(11-23(30-26)19-9-15(3)36-16(19)4)27(34)35-13-24(32)18-5-7-22-17(10-18)6-8-25(33)29-22/h5,7,9-12,14H,6,8,13H2,1-4H3,(H,29,33).
What are the key properties of [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?
[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 has a molecular weight of 486.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 55495539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).