5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole

C15H14BrN5O — CID 163355183

IUPAC5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCc3nc4ncc(Br)cc4cc3C2)n1
InChIInChI=1S/C15H14BrN5O/c1-9-18-14(22-20-9)8-21-3-2-13-11(7-21)4-10-5-12(16)6-17-15(10)19-13/h4-6H,2-3,7-8H2,1H3
InChIKeyRIQYZILXYRAQMS-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.64
Rot. Bonds2

About 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole

5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 163355183) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID163355183
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCc3nc4ncc(Br)cc4cc3C2)n1
InChIInChI=1S/C15H14BrN5O/c1-9-18-14(22-20-9)8-21-3-2-13-11(7-21)4-10-5-12(16)6-17-15(10)19-13/h4-6H,2-3,7-8H2,1H3
InChIKeyRIQYZILXYRAQMS-UHFFFAOYSA-N
XLogP2.64
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole (CID 163355183) is 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CN2CCc3nc4ncc(Br)cc4cc3C2)n1.
What is the InChIKey of 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is RIQYZILXYRAQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-9-18-14(22-20-9)8-21-3-2-13-11(7-21)4-10-5-12(16)6-17-15(10)19-13/h4-6H,2-3,7-8H2,1H3.
What are the key properties of 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole?
5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 360.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 163355183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).