6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C21H15F2N3O3 — CID 25247574

IUPAC6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c12
InChIInChI=1S/C21H15F2N3O3/c1-12-18-16(20(27)28)11-17(13-7-9-15(10-8-13)29-21(22)23)24-19(18)26(25-12)14-5-3-2-4-6-14/h2-11,21H,1H3,(H,27,28)
InChIKeyRRZNFYGCAZXZJY-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.70
Rot. Bonds5

About 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 25247574) has the molecular formula C21H15F2N3O3 and a molecular weight of 395.37 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID25247574
Molecular FormulaC21H15F2N3O3
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c12
InChIInChI=1S/C21H15F2N3O3/c1-12-18-16(20(27)28)11-17(13-7-9-15(10-8-13)29-21(22)23)24-19(18)26(25-12)14-5-3-2-4-6-14/h2-11,21H,1H3,(H,27,28)
InChIKeyRRZNFYGCAZXZJY-UHFFFAOYSA-N
XLogP4.70
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 25247574) is 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(-c2ccccc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c12.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is RRZNFYGCAZXZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3/c1-12-18-16(20(27)28)11-17(13-7-9-15(10-8-13)29-21(22)23)24-19(18)26(25-12)14-5-3-2-4-6-14/h2-11,21H,1H3,(H,27,28).
What are the key properties of 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 395.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25247574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).