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

C22H18FN5O4 — CID 135869556

IUPAC[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12)N1CCOCC1
InChIInChI=1S/C22H18FN5O4/c23-14-5-3-13(4-6-14)12-16-26-27-21(32-16)19-20(29)17-15(2-1-7-24-17)18(25-19)22(30)28-8-10-31-11-9-28/h1-7,29H,8-12H2
InChIKeyCXKBBHHWTVXIFW-UHFFFAOYSA-N
MW435.42 g/mol
LogP2.59
Rot. Bonds4

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

[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone (PubChem CID 135869556) has the molecular formula C22H18FN5O4 and a molecular weight of 435.42 g/mol. Its IUPAC name is [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone
PubChem CID135869556
Molecular FormulaC22H18FN5O4
Molecular Weight435.42 g/mol
Exact Mass435.13
IUPAC Name[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12)N1CCOCC1
InChIInChI=1S/C22H18FN5O4/c23-14-5-3-13(4-6-14)12-16-26-27-21(32-16)19-20(29)17-15(2-1-7-24-17)18(25-19)22(30)28-8-10-31-11-9-28/h1-7,29H,8-12H2
InChIKeyCXKBBHHWTVXIFW-UHFFFAOYSA-N
XLogP2.59
TPSA114.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone (CID 135869556) is [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone is O=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12)N1CCOCC1.
What is the InChIKey of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is CXKBBHHWTVXIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O4/c23-14-5-3-13(4-6-14)12-16-26-27-21(32-16)19-20(29)17-15(2-1-7-24-17)18(25-19)22(30)28-8-10-31-11-9-28/h1-7,29H,8-12H2.
What are the key properties of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone?
[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 435.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 135869556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).