1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C19H15N3O3 — CID 118414946

IUPAC1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(Cc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C19H15N3O3/c1-12-17-14(19(23)24)10-15(16-8-5-9-25-16)20-18(17)22(21-12)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeySYAPOOZEIOGKQM-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.75
Rot. Bonds4

About 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 118414946) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID118414946
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(Cc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
InChIInChI=1S/C19H15N3O3/c1-12-17-14(19(23)24)10-15(16-8-5-9-25-16)20-18(17)22(21-12)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeySYAPOOZEIOGKQM-UHFFFAOYSA-N
XLogP3.75
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 6485369
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
3-(4-Bromophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 8073338
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
A2A receptor antagonist 1
CID 9879687
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
1-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9967146
[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-phenyl]-methanol
CID 10286375
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzoic acid ethyl ester
CID 11268096
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 118414946) is 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(Cc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12.
What is the InChIKey of 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is SYAPOOZEIOGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-17-14(19(23)24)10-15(16-8-5-9-25-16)20-18(17)22(21-12)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 118414946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).