5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide

C20H19BrFN5O — CID 71459220

IUPAC5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1N1CCNCC1
InChIInChI=1S/C20H19BrFN5O/c21-19-15-2-1-7-24-16(15)18(27-10-8-23-9-11-27)17(26-19)20(28)25-12-13-3-5-14(22)6-4-13/h1-7,23H,8-12H2,(H,25,28)
InChIKeyCTVGNWLHFKQVEK-UHFFFAOYSA-N
MW444.31 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide

5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide (PubChem CID 71459220) has the molecular formula C20H19BrFN5O and a molecular weight of 444.31 g/mol. Its IUPAC name is 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
PubChem CID71459220
Molecular FormulaC20H19BrFN5O
Molecular Weight444.31 g/mol
Exact Mass443.08
IUPAC Name5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1N1CCNCC1
InChIInChI=1S/C20H19BrFN5O/c21-19-15-2-1-7-24-16(15)18(27-10-8-23-9-11-27)17(26-19)20(28)25-12-13-3-5-14(22)6-4-13/h1-7,23H,8-12H2,(H,25,28)
InChIKeyCTVGNWLHFKQVEK-UHFFFAOYSA-N
XLogP2.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide (CID 71459220) is 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1N1CCNCC1.
What is the InChIKey of 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide?
The InChIKey is CTVGNWLHFKQVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN5O/c21-19-15-2-1-7-24-16(15)18(27-10-8-23-9-11-27)17(26-19)20(28)25-12-13-3-5-14(22)6-4-13/h1-7,23H,8-12H2,(H,25,28).
What are the key properties of 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide?
5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide has a molecular weight of 444.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-fluorophenyl)methyl]-8-piperazin-1-yl-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 71459220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).