2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

C23H22N4O — CID 22629184

IUPAC2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1C1CCCCC1
InChIInChI=1S/C23H22N4O/c28-21-15-14-19(24-27(21)18-11-5-2-6-12-18)22-20-13-7-8-16-26(20)25-23(22)17-9-3-1-4-10-17/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2
InChIKeyAOQXHNOUIDIXKE-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.73
Rot. Bonds3

About 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (PubChem CID 22629184) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
PubChem CID22629184
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1C1CCCCC1
InChIInChI=1S/C23H22N4O/c28-21-15-14-19(24-27(21)18-11-5-2-6-12-18)22-20-13-7-8-16-26(20)25-23(22)17-9-3-1-4-10-17/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2
InChIKeyAOQXHNOUIDIXKE-UHFFFAOYSA-N
XLogP4.73
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The IUPAC name of 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (CID 22629184) is 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The canonical SMILES for 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The InChIKey is AOQXHNOUIDIXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-21-15-14-19(24-27(21)18-11-5-2-6-12-18)22-20-13-7-8-16-26(20)25-23(22)17-9-3-1-4-10-17/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2.
What are the key properties of 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one has a molecular weight of 370.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is sourced from PubChem (CID 22629184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).