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

C21H19N3O6 — CID 37260985

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)o1
InChIInChI=1S/C21H19N3O6/c1-12(2)24-19-15(10-22-24)14(9-16(23-19)17-5-4-8-28-17)20(25)29-11-13-6-7-18(30-13)21(26)27-3/h4-10,12H,11H2,1-3H3
InChIKeyOMGOKVGQGDEESG-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.01
Rot. Bonds6

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

(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 37260985) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID37260985
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)o1
InChIInChI=1S/C21H19N3O6/c1-12(2)24-19-15(10-22-24)14(9-16(23-19)17-5-4-8-28-17)20(25)29-11-13-6-7-18(30-13)21(26)27-3/h4-10,12H,11H2,1-3H3
InChIKeyOMGOKVGQGDEESG-UHFFFAOYSA-N
XLogP4.01
TPSA109.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2631168
prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 146084326
6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39270156
(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 18131246
N-ethoxy-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46536338
N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119571803
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)-1-propan-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36936644
methyl 2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-2-methylpropanoate
CID 30875618
N-[2-(ethylamino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914644
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 41404505
6-(furan-2-yl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24676072

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 37260985) is (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is OMGOKVGQGDEESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c1-12(2)24-19-15(10-22-24)14(9-16(23-19)17-5-4-8-28-17)20(25)29-11-13-6-7-18(30-13)21(26)27-3/h4-10,12H,11H2,1-3H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 409.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 37260985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).