3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid

C26H21N5O3 — CID 175581523

IUPAC3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCc1nn(-c2ccccc2)cc1-c1cc(-c2cn(-c3ccccc3)nc2C)c(O)c(C(=O)O)n1
InChIInChI=1S/C26H21N5O3/c1-16-21(14-30(28-16)18-9-5-3-6-10-18)20-13-23(27-24(25(20)32)26(33)34)22-15-31(29-17(22)2)19-11-7-4-8-12-19/h3-15,32H,1-2H3,(H,33,34)
InChIKeyHFPPWMJUJPFOLY-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.81
Rot. Bonds5

About 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid

3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid (PubChem CID 175581523) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
PubChem CID175581523
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCc1nn(-c2ccccc2)cc1-c1cc(-c2cn(-c3ccccc3)nc2C)c(O)c(C(=O)O)n1
InChIInChI=1S/C26H21N5O3/c1-16-21(14-30(28-16)18-9-5-3-6-10-18)20-13-23(27-24(25(20)32)26(33)34)22-15-31(29-17(22)2)19-11-7-4-8-12-19/h3-15,32H,1-2H3,(H,33,34)
InChIKeyHFPPWMJUJPFOLY-UHFFFAOYSA-N
XLogP4.81
TPSA106.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid (CID 175581523) is 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid is Cc1nn(-c2ccccc2)cc1-c1cc(-c2cn(-c3ccccc3)nc2C)c(O)c(C(=O)O)n1.
What is the InChIKey of 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid?
The InChIKey is HFPPWMJUJPFOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-16-21(14-30(28-16)18-9-5-3-6-10-18)20-13-23(27-24(25(20)32)26(33)34)22-15-31(29-17(22)2)19-11-7-4-8-12-19/h3-15,32H,1-2H3,(H,33,34).
What are the key properties of 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid?
3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid has a molecular weight of 451.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 175581523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).