1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C21H23N3O3 — CID 126743142

IUPAC1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc3c2c(C)nn3C2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3/c1-13-19-17(14-8-10-16(27-2)11-9-14)12-18(21(25)26)22-20(19)24(23-13)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,25,26)
InChIKeyNMONBDKFMZDTMH-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.62
Rot. Bonds4

About 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid

1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743142) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743142
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc3c2c(C)nn3C2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3/c1-13-19-17(14-8-10-16(27-2)11-9-14)12-18(21(25)26)22-20(19)24(23-13)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,25,26)
InChIKeyNMONBDKFMZDTMH-UHFFFAOYSA-N
XLogP4.62
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743142) is 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid is COc1ccc(-c2cc(C(=O)O)nc3c2c(C)nn3C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is NMONBDKFMZDTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-19-17(14-8-10-16(27-2)11-9-14)12-18(21(25)26)22-20(19)24(23-13)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,25,26).
What are the key properties of 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).