(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C23H21N3O6 — CID 18131246

IUPAC(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(OC)c1
InChIInChI=1S/C23H21N3O6/c1-13(2)26-21-16(12-24-26)15(11-17(25-21)18-6-5-9-31-18)23(28)32-19-8-7-14(22(27)30-4)10-20(19)29-3/h5-13H,1-4H3
InChIKeyUNKPPMZEGOUMAW-UHFFFAOYSA-N
MW435.44 g/mol
LogP4.29
Rot. Bonds6

About (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 18131246) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID18131246
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC Name(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(OC)c1
InChIInChI=1S/C23H21N3O6/c1-13(2)26-21-16(12-24-26)15(11-17(25-21)18-6-5-9-31-18)23(28)32-19-8-7-14(22(27)30-4)10-20(19)29-3/h5-13H,1-4H3
InChIKeyUNKPPMZEGOUMAW-UHFFFAOYSA-N
XLogP4.29
TPSA105.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(furan-2-yl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 46687483
(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 37260985
6-(furan-2-yl)-1-propan-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36936644
prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 146084326
methyl 2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-2-methylpropanoate
CID 30875618
N-[(3,5-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55577108
6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39270156
N-ethoxy-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46536338
6-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38535692
methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate
CID 33088168
N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38206296
N-[2-(ethylamino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914644

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 18131246) is (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1ccc(OC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(OC)c1.
What is the InChIKey of (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is UNKPPMZEGOUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-13(2)26-21-16(12-24-26)15(11-17(25-21)18-6-5-9-31-18)23(28)32-19-8-7-14(22(27)30-4)10-20(19)29-3/h5-13H,1-4H3.
What are the key properties of (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 435.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 18131246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).