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

C23H21FN6O3 — CID 135869557

IUPAC[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1
InChIInChI=1S/C23H21FN6O3/c1-29-9-11-30(12-10-29)23(32)19-16-3-2-8-25-18(16)21(31)20(26-19)22-28-27-17(33-22)13-14-4-6-15(24)7-5-14/h2-8,31H,9-13H2,1H3
InChIKeyDHOCHGXXFALDAS-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.50
Rot. Bonds4

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

[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 135869557) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID135869557
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1
InChIInChI=1S/C23H21FN6O3/c1-29-9-11-30(12-10-29)23(32)19-16-3-2-8-25-18(16)21(31)20(26-19)22-28-27-17(33-22)13-14-4-6-15(24)7-5-14/h2-8,31H,9-13H2,1H3
InChIKeyDHOCHGXXFALDAS-UHFFFAOYSA-N
XLogP2.50
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.50
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]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 135869557) is [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1.
What is the InChIKey of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DHOCHGXXFALDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-29-9-11-30(12-10-29)23(32)19-16-3-2-8-25-18(16)21(31)20(26-19)22-28-27-17(33-22)13-14-4-6-15(24)7-5-14/h2-8,31H,9-13H2,1H3.
What are the key properties of [7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone?
[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 448.46 g/mol, XLogP of 2.50, 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]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 135869557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).