3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid

C24H22N4O3 — CID 22629248

IUPAC3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1
InChIInChI=1S/C24H22N4O3/c29-21-13-12-19(25-28(21)18-10-6-9-17(15-18)24(30)31)22-20-11-4-5-14-27(20)26-23(22)16-7-2-1-3-8-16/h1-5,7-8,11-14,17-18H,6,9-10,15H2,(H,30,31)
InChIKeyGVHJNGDRSZWJBW-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.04
Rot. Bonds4

About 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid

3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 22629248) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID22629248
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1
InChIInChI=1S/C24H22N4O3/c29-21-13-12-19(25-28(21)18-10-6-9-17(15-18)24(30)31)22-20-11-4-5-14-27(20)26-23(22)16-7-2-1-3-8-16/h1-5,7-8,11-14,17-18H,6,9-10,15H2,(H,30,31)
InChIKeyGVHJNGDRSZWJBW-UHFFFAOYSA-N
XLogP4.04
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid (CID 22629248) is 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1.
What is the InChIKey of 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is GVHJNGDRSZWJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-21-13-12-19(25-28(21)18-10-6-9-17(15-18)24(30)31)22-20-11-4-5-14-27(20)26-23(22)16-7-2-1-3-8-16/h1-5,7-8,11-14,17-18H,6,9-10,15H2,(H,30,31).
What are the key properties of 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid?
3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 414.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22629248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).