6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C20H17N3O4 — CID 118424984

IUPAC6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2nc3nc(-c4ccco4)cc(C(=O)O)c3c2C)cc1
InChIInChI=1S/C20H17N3O4/c1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)22-23(12)11-13-5-7-14(26-2)8-6-13/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyVIRDQNIRNLXXFQ-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.75
Rot. Bonds5

About 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid

6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 118424984) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID118424984
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2nc3nc(-c4ccco4)cc(C(=O)O)c3c2C)cc1
InChIInChI=1S/C20H17N3O4/c1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)22-23(12)11-13-5-7-14(26-2)8-6-13/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyVIRDQNIRNLXXFQ-UHFFFAOYSA-N
XLogP3.75
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

ethyl 2-[(4-benzylphenyl)methyl]-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 118423466
ethyl 6-(furan-2-yl)-3-methyl-2-[[4-[(3,4,5-trimethylphenyl)methyl]phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxylate
CID 118423485
6-(furan-2-yl)-3-methyl-1-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118423391
ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 118423479
1-[(4-chlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 4962711
3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 144940290
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
2-benzyl-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;2-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;3,6-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid;ethyl 6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;ethyl 6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate;ethyl 6-(furan-2-yl)-3-methyl-1-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;6-(furan-2-yl)-2,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-[(3-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate;2,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 157231780
5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 14006738
2-benzyl-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;2-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;3,6-dimethyl-2-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid;ethyl 6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;ethyl 6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate;ethyl 6-(furan-2-yl)-3-methyl-1-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;6-(furan-2-yl)-2,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;6-(furan-2-yl)-3-methyl-2-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 6-(furan-2-ylmethylideneamino)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 6-(furan-2-yl)-3-methyl-1-(naphthalen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate;2,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 161411293
6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55661429
2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
CID 118707891

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 118424984) is 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid is COc1ccc(Cn2nc3nc(-c4ccco4)cc(C(=O)O)c3c2C)cc1.
What is the InChIKey of 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is VIRDQNIRNLXXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-12-18-15(20(24)25)10-16(17-4-3-9-27-17)21-19(18)22-23(12)11-13-5-7-14(26-2)8-6-13/h3-10H,11H2,1-2H3,(H,24,25).
What are the key properties of 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 118424984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).