6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C11H12ClN3O2 — CID 86677623

IUPAC6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C(C)C)c2nc(Cl)cc(C(=O)O)c12
InChIInChI=1S/C11H12ClN3O2/c1-5(2)15-10-9(6(3)14-15)7(11(16)17)4-8(12)13-10/h4-5H,1-3H3,(H,16,17)
InChIKeyHCNLJCWUXKHIRQ-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.67
Rot. Bonds2

About 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 86677623) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID86677623
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C(C)C)c2nc(Cl)cc(C(=O)O)c12
InChIInChI=1S/C11H12ClN3O2/c1-5(2)15-10-9(6(3)14-15)7(11(16)17)4-8(12)13-10/h4-5H,1-3H3,(H,16,17)
InChIKeyHCNLJCWUXKHIRQ-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19619986
ethyl 6-bromo-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 86703418
6-chloro-1-methyl-3-prop-1-ynylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 89432852
(3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone
CID 19589193
3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 18802094
6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 169206112
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51570375
3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620009
6-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19589987
3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 91957324
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19615427

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 86677623) is 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(C(C)C)c2nc(Cl)cc(C(=O)O)c12.
What is the InChIKey of 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is HCNLJCWUXKHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-5(2)15-10-9(6(3)14-15)7(11(16)17)4-8(12)13-10/h4-5H,1-3H3,(H,16,17).
What are the key properties of 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 253.69 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 86677623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).