4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C16H20ClN3O2 — CID 69246866

IUPAC4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCc1nn(CC)c2nc(C3CCCC3)c(C(=O)O)c(Cl)c12
InChIInChI=1S/C16H20ClN3O2/c1-3-10-11-13(17)12(16(21)22)14(9-7-5-6-8-9)18-15(11)20(4-2)19-10/h9H,3-8H2,1-2H3,(H,21,22)
InChIKeyBCAJQSBQZPTWBI-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.02
Rot. Bonds4

About 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 69246866) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID69246866
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCc1nn(CC)c2nc(C3CCCC3)c(C(=O)O)c(Cl)c12
InChIInChI=1S/C16H20ClN3O2/c1-3-10-11-13(17)12(16(21)22)14(9-7-5-6-8-9)18-15(11)20(4-2)19-10/h9H,3-8H2,1-2H3,(H,21,22)
InChIKeyBCAJQSBQZPTWBI-UHFFFAOYSA-N
XLogP4.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-1-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473447
6-chloro-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 2325081
4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 614513
ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2736380
3-tert-butyl-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16773438
5-chloro-6-cyclopropyl-3-methyl-1-(4-methylbenzyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247592
5-chloro-6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247636
4-Chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 155518407
4-(4-Fluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 23126844
4-Fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 122442905
4-Chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethane;propane
CID 145130962
4-Chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 146500587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 69246866) is 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CCc1nn(CC)c2nc(C3CCCC3)c(C(=O)O)c(Cl)c12.
What is the InChIKey of 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is BCAJQSBQZPTWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-3-10-11-13(17)12(16(21)22)14(9-7-5-6-8-9)18-15(11)20(4-2)19-10/h9H,3-8H2,1-2H3,(H,21,22).
What are the key properties of 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 321.81 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-1,3-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 69246866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).