4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

C18H20N4O2 — CID 90702852

IUPAC4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1ccc(-c2[nH]nc3nc(C(C)(C)C)c(C(=O)O)c(N)c23)cc1
InChIInChI=1S/C18H20N4O2/c1-9-5-7-10(8-6-9)14-11-13(19)12(17(23)24)15(18(2,3)4)20-16(11)22-21-14/h5-8H,1-4H3,(H,23,24)(H3,19,20,21,22)
InChIKeyABDAZMUKCBNKTF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.51
Rot. Bonds2

About 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 90702852) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID90702852
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1ccc(-c2[nH]nc3nc(C(C)(C)C)c(C(=O)O)c(N)c23)cc1
InChIInChI=1S/C18H20N4O2/c1-9-5-7-10(8-6-9)14-11-13(19)12(17(23)24)15(18(2,3)4)20-16(11)22-21-14/h5-8H,1-4H3,(H,23,24)(H3,19,20,21,22)
InChIKeyABDAZMUKCBNKTF-UHFFFAOYSA-N
XLogP3.51
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 90702852) is 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1ccc(-c2[nH]nc3nc(C(C)(C)C)c(C(=O)O)c(N)c23)cc1.
What is the InChIKey of 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is ABDAZMUKCBNKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-9-5-7-10(8-6-9)14-11-13(19)12(17(23)24)15(18(2,3)4)20-16(11)22-21-14/h5-8H,1-4H3,(H,23,24)(H3,19,20,21,22).
What are the key properties of 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-tert-butyl-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 90702852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).