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

C24H22N4O2 — CID 22629190

IUPAC2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=C1CCCCCC1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C24H22N4O2/c29-21-13-6-2-5-11-19(21)28-22(30)15-14-18(25-28)23-20-12-7-8-16-27(20)26-24(23)17-9-3-1-4-10-17/h1,3-4,7-10,12,14-16,19H,2,5-6,11,13H2
InChIKeyLAHSMNUSIMBXBP-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.30
Rot. Bonds3

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

2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (PubChem CID 22629190) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
PubChem CID22629190
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=C1CCCCCC1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C24H22N4O2/c29-21-13-6-2-5-11-19(21)28-22(30)15-14-18(25-28)23-20-12-7-8-16-27(20)26-24(23)17-9-3-1-4-10-17/h1,3-4,7-10,12,14-16,19H,2,5-6,11,13H2
InChIKeyLAHSMNUSIMBXBP-UHFFFAOYSA-N
XLogP4.30
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The IUPAC name of 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (CID 22629190) is 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is O=C1CCCCCC1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O.
What is the InChIKey of 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The InChIKey is LAHSMNUSIMBXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-21-13-6-2-5-11-19(21)28-22(30)15-14-18(25-28)23-20-12-7-8-16-27(20)26-24(23)17-9-3-1-4-10-17/h1,3-4,7-10,12,14-16,19H,2,5-6,11,13H2.
What are the key properties of 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one has a molecular weight of 398.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxocycloheptyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is sourced from PubChem (CID 22629190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).