6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C21H25FN8O4 — CID 86270980

IUPAC6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(C[C@@H](O)c4nnc(-n5cnnn5)cc4C)CC3F)C2=O)COC1=O
InChIInChI=1S/C21H25FN8O4/c1-12-7-17(30-11-23-26-27-30)24-25-18(12)15(31)8-28-5-3-21(16(22)9-28)4-6-29(20(21)33)14-10-34-19(32)13(14)2/h7,11,15-16,31H,3-6,8-10H2,1-2H3/t15-,16?,21?/m1/s1
InChIKeyHFNQPCHVWXHTIZ-IZINQKCZSA-N
MW472.48 g/mol
LogP-0.11
Rot. Bonds5

About 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 86270980) has the molecular formula C21H25FN8O4 and a molecular weight of 472.48 g/mol. Its IUPAC name is 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID86270980
Molecular FormulaC21H25FN8O4
Molecular Weight472.48 g/mol
Exact Mass472.20
IUPAC Name6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(C[C@@H](O)c4nnc(-n5cnnn5)cc4C)CC3F)C2=O)COC1=O
InChIInChI=1S/C21H25FN8O4/c1-12-7-17(30-11-23-26-27-30)24-25-18(12)15(31)8-28-5-3-21(16(22)9-28)4-6-29(20(21)33)14-10-34-19(32)13(14)2/h7,11,15-16,31H,3-6,8-10H2,1-2H3/t15-,16?,21?/m1/s1
InChIKeyHFNQPCHVWXHTIZ-IZINQKCZSA-N
XLogP-0.11
TPSA139.46 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 86270980) is 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCN(C[C@@H](O)c4nnc(-n5cnnn5)cc4C)CC3F)C2=O)COC1=O.
What is the InChIKey of 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HFNQPCHVWXHTIZ-IZINQKCZSA-N. The full InChI is InChI=1S/C21H25FN8O4/c1-12-7-17(30-11-23-26-27-30)24-25-18(12)15(31)8-28-5-3-21(16(22)9-28)4-6-29(20(21)33)14-10-34-19(32)13(14)2/h7,11,15-16,31H,3-6,8-10H2,1-2H3/t15-,16?,21?/m1/s1.
What are the key properties of 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 472.48 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[(2R)-2-hydroxy-2-[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 86270980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).