4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C15H12ClN3O2 — CID 11174129

IUPAC4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1ccccc1-n1nc(C)c2c(Cl)c(C(=O)O)cnc21
InChIInChI=1S/C15H12ClN3O2/c1-8-5-3-4-6-11(8)19-14-12(9(2)18-19)13(16)10(7-17-14)15(20)21/h3-7H,1-2H3,(H,20,21)
InChIKeyGTOFEWPKQORMAG-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.39
Rot. Bonds2

About 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 11174129) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID11174129
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1ccccc1-n1nc(C)c2c(Cl)c(C(=O)O)cnc21
InChIInChI=1S/C15H12ClN3O2/c1-8-5-3-4-6-11(8)19-14-12(9(2)18-19)13(16)10(7-17-14)15(20)21/h3-7H,1-2H3,(H,20,21)
InChIKeyGTOFEWPKQORMAG-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-1-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 11381079
(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone
CID 22320099
4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 122442807
4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626738
4-chloro-3-methyl-N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627315
N-[(2R)-butan-2-yl]-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626608
4-chloro-1-(3-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl chloride
CID 11163623
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423439
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
4-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 11174129) is 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1ccccc1-n1nc(C)c2c(Cl)c(C(=O)O)cnc21.
What is the InChIKey of 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is GTOFEWPKQORMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8-5-3-4-6-11(8)19-14-12(9(2)18-19)13(16)10(7-17-14)15(20)21/h3-7H,1-2H3,(H,20,21).
What are the key properties of 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 301.73 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 11174129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).