N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide

C22H21FN6O3 — CID 24987597

IUPACN-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)CN(c1cccnn1)C(=O)O2
InChIInChI=1S/C22H21FN6O3/c23-16-4-1-2-5-17(16)29-13-9-18(27-29)25-20(30)15-7-10-22(11-8-15)14-28(21(31)32-22)19-6-3-12-24-26-19/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,25,27,30)
InChIKeyYCYNLIDWCYRQTD-UHFFFAOYSA-N
MW436.45 g/mol
LogP3.33
Rot. Bonds4

About N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide

N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide (PubChem CID 24987597) has the molecular formula C22H21FN6O3 and a molecular weight of 436.45 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
PubChem CID24987597
Molecular FormulaC22H21FN6O3
Molecular Weight436.45 g/mol
Exact Mass436.17
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)CN(c1cccnn1)C(=O)O2
InChIInChI=1S/C22H21FN6O3/c23-16-4-1-2-5-17(16)29-13-9-18(27-29)25-20(30)15-7-10-22(11-8-15)14-28(21(31)32-22)19-6-3-12-24-26-19/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,25,27,30)
InChIKeyYCYNLIDWCYRQTD-UHFFFAOYSA-N
XLogP3.33
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide (CID 24987597) is N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)CN(c1cccnn1)C(=O)O2.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is YCYNLIDWCYRQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O3/c23-16-4-1-2-5-17(16)29-13-9-18(27-29)25-20(30)15-7-10-22(11-8-15)14-28(21(31)32-22)19-6-3-12-24-26-19/h1-6,9,12-13,15H,7-8,10-11,14H2,(H,25,27,30).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 24987597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).