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

C23H20N4O3 — CID 16590545

IUPAC(4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(-c2cc(C(=O)Oc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C23H20N4O3/c1-13(2)27-22-20(12-25-27)19(10-21(26-22)18-9-14(3)29-15(18)4)23(28)30-17-7-5-16(11-24)6-8-17/h5-10,12-13H,1-4H3
InChIKeyQNHQXZYRBXBRQY-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.98
Rot. Bonds4

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

(4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 16590545) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID16590545
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name(4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(-c2cc(C(=O)Oc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C23H20N4O3/c1-13(2)27-22-20(12-25-27)19(10-21(26-22)18-9-14(3)29-15(18)4)23(28)30-17-7-5-16(11-24)6-8-17/h5-10,12-13H,1-4H3
InChIKeyQNHQXZYRBXBRQY-UHFFFAOYSA-N
XLogP4.98
TPSA93.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

(4-cyano-2-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 18269151
[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
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495686
[2-(3-methylbutylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693193
N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494613
2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid
CID 119359044
6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
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-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46692898
6-(2,5-dimethylfuran-3-yl)-1-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859788

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 16590545) is (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(-c2cc(C(=O)Oc3ccc(C#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is QNHQXZYRBXBRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-13(2)27-22-20(12-25-27)19(10-21(26-22)18-9-14(3)29-15(18)4)23(28)30-17-7-5-16(11-24)6-8-17/h5-10,12-13H,1-4H3.
What are the key properties of (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
(4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 16590545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).