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

C21H17FN6O3 — CID 135508477

IUPAC1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C21H17FN6O3/c22-13-6-4-12(5-7-13)11-15-26-27-20(31-15)17-18(29)16-14(3-1-8-23-16)19(25-17)28-10-2-9-24-21(28)30/h1,3-8,29H,2,9-11H2,(H,24,30)
InChIKeyNQWXLEOIWKLFOX-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.04
Rot. Bonds4

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

1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-diazinan-2-one (PubChem CID 135508477) 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]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-diazinan-2-one
PubChem CID135508477
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]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C21H17FN6O3/c22-13-6-4-12(5-7-13)11-15-26-27-20(31-15)17-18(29)16-14(3-1-8-23-16)19(25-17)28-10-2-9-24-21(28)30/h1,3-8,29H,2,9-11H2,(H,24,30)
InChIKeyNQWXLEOIWKLFOX-UHFFFAOYSA-N
XLogP3.04
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 135405892
CID 135405892
CID 135421300
CID 135421300
CID 135430152
CID 135430152
CID 135430176
CID 135430176
CID 135451034
CID 135451034
CID 135454946
CID 135454946
CID 135518325
CID 135518325
CID 135519340
CID 135519340
CID 135524880
CID 135524880
CID 135524943
CID 135524943
CID 135540515
CID 135540515
CID 135540532
CID 135540532

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]-1,3-diazinan-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]-1,3-diazinan-2-one (CID 135508477) is 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-diazinan-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]-1,3-diazinan-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]-1,3-diazinan-2-one is O=C1NCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.
What is the InChIKey of 1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-diazinan-2-one?
The InChIKey is NQWXLEOIWKLFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c22-13-6-4-12(5-7-13)11-15-26-27-20(31-15)17-18(29)16-14(3-1-8-23-16)19(25-17)28-10-2-9-24-21(28)30/h1,3-8,29H,2,9-11H2,(H,24,30).
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]-1,3-diazinan-2-one?
1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-diazinan-2-one has a molecular weight of 420.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 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]-1,3-diazinan-2-one is sourced from PubChem (CID 135508477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).