5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride

C17H15BrClFN2O3 — CID 18000995

IUPAC5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride
SMILESCl.O=C1CNCC2=C1C(c1ccc(F)c(Br)c1)C1=C(COCC1=O)N2
InChIInChI=1S/C17H14BrFN2O3.ClH/c18-9-3-8(1-2-10(9)19)15-16-11(4-20-5-13(16)22)21-12-6-24-7-14(23)17(12)15;/h1-3,15,20-21H,4-7H2;1H
InChIKeyWYFVELCOEXSMSH-UHFFFAOYSA-N
MW429.67 g/mol
LogP1.98
Rot. Bonds1

About 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride

5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride (PubChem CID 18000995) has the molecular formula C17H15BrClFN2O3 and a molecular weight of 429.67 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride
PubChem CID18000995
Molecular FormulaC17H15BrClFN2O3
Molecular Weight429.67 g/mol
Exact Mass427.99
IUPAC Name5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride
SMILESCl.O=C1CNCC2=C1C(c1ccc(F)c(Br)c1)C1=C(COCC1=O)N2
InChIInChI=1S/C17H14BrFN2O3.ClH/c18-9-3-8(1-2-10(9)19)15-16-11(4-20-5-13(16)22)21-12-6-24-7-14(23)17(12)15;/h1-3,15,20-21H,4-7H2;1H
InChIKeyWYFVELCOEXSMSH-UHFFFAOYSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.67
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride 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-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride (CID 18000995) is 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride is Cl.O=C1CNCC2=C1C(c1ccc(F)c(Br)c1)C1=C(COCC1=O)N2.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride?
The InChIKey is WYFVELCOEXSMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O3.ClH/c18-9-3-8(1-2-10(9)19)15-16-11(4-20-5-13(16)22)21-12-6-24-7-14(23)17(12)15;/h1-3,15,20-21H,4-7H2;1H.
What are the key properties of 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride?
5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride has a molecular weight of 429.67 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride is sourced from PubChem (CID 18000995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).