5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C12H12ClN3O2 — CID 25247636

IUPAC5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C)c2nc(C3CC3)c(Cl)c(C(=O)O)c12
InChIInChI=1S/C12H12ClN3O2/c1-5-7-8(12(17)18)9(13)10(6-3-4-6)14-11(7)16(2)15-5/h6H,3-4H2,1-2H3,(H,17,18)
InChIKeyDZRURMZYAMDNAK-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.51
Rot. Bonds2

About 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 25247636) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID25247636
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C)c2nc(C3CC3)c(Cl)c(C(=O)O)c12
InChIInChI=1S/C12H12ClN3O2/c1-5-7-8(12(17)18)9(13)10(6-3-4-6)14-11(7)16(2)15-5/h6H,3-4H2,1-2H3,(H,17,18)
InChIKeyDZRURMZYAMDNAK-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 25247636) is 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1nn(C)c2nc(C3CC3)c(Cl)c(C(=O)O)c12.
What is the InChIKey of 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is DZRURMZYAMDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-5-7-8(12(17)18)9(13)10(6-3-4-6)14-11(7)16(2)15-5/h6H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25247636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).