1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one

C21H17FN6O3 — CID 135869515

IUPAC1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C1=O
InChIInChI=1S/C21H17FN6O3/c1-27-9-10-28(21(27)30)19-14-3-2-8-23-16(14)18(29)17(24-19)20-26-25-15(31-20)11-12-4-6-13(22)7-5-12/h2-8,29H,9-11H2,1H3
InChIKeyCYVHFETYRROQFP-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.99
Rot. Bonds4

About 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one

1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one (PubChem CID 135869515) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one
PubChem CID135869515
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C1=O
InChIInChI=1S/C21H17FN6O3/c1-27-9-10-28(21(27)30)19-14-3-2-8-23-16(14)18(29)17(24-19)20-26-25-15(31-20)11-12-4-6-13(22)7-5-12/h2-8,29H,9-11H2,1H3
InChIKeyCYVHFETYRROQFP-UHFFFAOYSA-N
XLogP2.99
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one (CID 135869515) is 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one is CN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C1=O.
What is the InChIKey of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one?
The InChIKey is CYVHFETYRROQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c1-27-9-10-28(21(27)30)19-14-3-2-8-23-16(14)18(29)17(24-19)20-26-25-15(31-20)11-12-4-6-13(22)7-5-12/h2-8,29H,9-11H2,1H3.
What are the key properties of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one?
1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one has a molecular weight of 420.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 135869515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).