4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C17H16N4O4 — CID 20709343

IUPAC4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCn1ncc2c(NCc3ccc4c(c3)OCO4)c(C(=O)O)cnc21
InChIInChI=1S/C17H16N4O4/c1-2-21-16-11(8-20-21)15(12(7-19-16)17(22)23)18-6-10-3-4-13-14(5-10)25-9-24-13/h3-5,7-8H,2,6,9H2,1H3,(H,18,19)(H,22,23)
InChIKeyFCOBRQZOOWEORN-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.49
Rot. Bonds5

About 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 20709343) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID20709343
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCn1ncc2c(NCc3ccc4c(c3)OCO4)c(C(=O)O)cnc21
InChIInChI=1S/C17H16N4O4/c1-2-21-16-11(8-20-21)15(12(7-19-16)17(22)23)18-6-10-3-4-13-14(5-10)25-9-24-13/h3-5,7-8H,2,6,9H2,1H3,(H,18,19)(H,22,23)
InChIKeyFCOBRQZOOWEORN-UHFFFAOYSA-N
XLogP2.49
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

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Related Compounds

ethyl 4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1481686
4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 10338602
5-[(3,4-Dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
CID 22002352
Ethyl 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 22002364
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 1304420
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 5103948
isopropyl 4-(4-methoxyphenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 11670428
ethyl 4-(4-methoxyphenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 11684389
methyl 4-(4-methoxyphenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 11719640
Ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 44561080
Ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 663859
ethyl 4-(1,3-benzodioxol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599069

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 20709343) is 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CCn1ncc2c(NCc3ccc4c(c3)OCO4)c(C(=O)O)cnc21.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is FCOBRQZOOWEORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-2-21-16-11(8-20-21)15(12(7-19-16)17(22)23)18-6-10-3-4-13-14(5-10)25-9-24-13/h3-5,7-8H,2,6,9H2,1H3,(H,18,19)(H,22,23).
What are the key properties of 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylmethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 20709343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).