5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

C19H18ClN3O2 — CID 25247592

IUPAC5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1ccc(Cn2nc(C)c3c(C(=O)O)c(Cl)c(C4CC4)nc32)cc1
InChIInChI=1S/C19H18ClN3O2/c1-10-3-5-12(6-4-10)9-23-18-14(11(2)22-23)15(19(24)25)16(20)17(21-18)13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,24,25)
InChIKeyDBFJNUXYQPBHCG-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.33
Rot. Bonds4

About 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 25247592) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID25247592
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1ccc(Cn2nc(C)c3c(C(=O)O)c(Cl)c(C4CC4)nc32)cc1
InChIInChI=1S/C19H18ClN3O2/c1-10-3-5-12(6-4-10)9-23-18-14(11(2)22-23)15(19(24)25)16(20)17(21-18)13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,24,25)
InChIKeyDBFJNUXYQPBHCG-UHFFFAOYSA-N
XLogP4.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
1-(4-Chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 129147662
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
6-Ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 146036004
Ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2088731
6-[4-(Hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600114
6-(3-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600116
6-(4-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600117
6-(4-Carboxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600401

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 25247592) is 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1ccc(Cn2nc(C)c3c(C(=O)O)c(Cl)c(C4CC4)nc32)cc1.
What is the InChIKey of 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is DBFJNUXYQPBHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-10-3-5-12(6-4-10)9-23-18-14(11(2)22-23)15(19(24)25)16(20)17(21-18)13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,24,25).
What are the key properties of 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 355.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25247592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).