8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione

C20H19F2N3O3 — CID 167626887

IUPAC8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESCc1cnc(N2CC(=O)N(Cc3ccc(F)cc3)C3(CC(O)C3)C2=O)c(F)c1
InChIInChI=1S/C20H19F2N3O3/c1-12-6-16(22)18(23-9-12)24-11-17(27)25(10-13-2-4-14(21)5-3-13)20(19(24)28)7-15(26)8-20/h2-6,9,15,26H,7-8,10-11H2,1H3
InChIKeyNFQIAORLOXYSIY-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.94
Rot. Bonds3

About 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione

8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione (PubChem CID 167626887) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione
PubChem CID167626887
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESCc1cnc(N2CC(=O)N(Cc3ccc(F)cc3)C3(CC(O)C3)C2=O)c(F)c1
InChIInChI=1S/C20H19F2N3O3/c1-12-6-16(22)18(23-9-12)24-11-17(27)25(10-13-2-4-14(21)5-3-13)20(19(24)28)7-15(26)8-20/h2-6,9,15,26H,7-8,10-11H2,1H3
InChIKeyNFQIAORLOXYSIY-UHFFFAOYSA-N
XLogP1.94
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione (CID 167626887) is 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione is Cc1cnc(N2CC(=O)N(Cc3ccc(F)cc3)C3(CC(O)C3)C2=O)c(F)c1.
What is the InChIKey of 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione?
The InChIKey is NFQIAORLOXYSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-12-6-16(22)18(23-9-12)24-11-17(27)25(10-13-2-4-14(21)5-3-13)20(19(24)28)7-15(26)8-20/h2-6,9,15,26H,7-8,10-11H2,1H3.
What are the key properties of 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione?
8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione has a molecular weight of 387.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-5-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 167626887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).