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

C24H23N5O2 — CID 57299881

IUPAC2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESCONC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1
InChIInChI=1S/C24H23N5O2/c1-31-27-18-11-5-6-12-20(18)29-22(30)15-14-19(25-29)23-21-13-7-8-16-28(21)26-24(23)17-9-3-2-4-10-17/h2-4,7-10,13-16,27H,5-6,11-12H2,1H3
InChIKeyVHRRMBKAUGSNBU-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.12
Rot. Bonds5

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

2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (PubChem CID 57299881) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
PubChem CID57299881
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESCONC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1
InChIInChI=1S/C24H23N5O2/c1-31-27-18-11-5-6-12-20(18)29-22(30)15-14-19(25-29)23-21-13-7-8-16-28(21)26-24(23)17-9-3-2-4-10-17/h2-4,7-10,13-16,27H,5-6,11-12H2,1H3
InChIKeyVHRRMBKAUGSNBU-UHFFFAOYSA-N
XLogP4.12
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (CID 57299881) is 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is CONC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1.
What is the InChIKey of 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The InChIKey is VHRRMBKAUGSNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-27-18-11-5-6-12-20(18)29-22(30)15-14-19(25-29)23-21-13-7-8-16-28(21)26-24(23)17-9-3-2-4-10-17/h2-4,7-10,13-16,27H,5-6,11-12H2,1H3.
What are the key properties of 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one has a molecular weight of 413.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxyamino)cyclohexen-1-yl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is sourced from PubChem (CID 57299881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).