4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine

C25H22F2N4 — CID 24898532

IUPAC4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine
SMILESCc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)cc(N3CCNCC3)nc12
InChIInChI=1S/C25H22F2N4/c1-16-4-2-3-5-18(16)24-25-20(8-9-29-24)21(19-7-6-17(26)14-22(19)27)15-23(30-25)31-12-10-28-11-13-31/h2-9,14-15,28H,10-13H2,1H3
InChIKeyQJXSOBZZFCPIBR-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.96
Rot. Bonds3

About 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine

4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine (PubChem CID 24898532) has the molecular formula C25H22F2N4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine
PubChem CID24898532
Molecular FormulaC25H22F2N4
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine
SMILESCc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)cc(N3CCNCC3)nc12
InChIInChI=1S/C25H22F2N4/c1-16-4-2-3-5-18(16)24-25-20(8-9-29-24)21(19-7-6-17(26)14-22(19)27)15-23(30-25)31-12-10-28-11-13-31/h2-9,14-15,28H,10-13H2,1H3
InChIKeyQJXSOBZZFCPIBR-UHFFFAOYSA-N
XLogP4.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine (CID 24898532) is 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine is Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)cc(N3CCNCC3)nc12.
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine?
The InChIKey is QJXSOBZZFCPIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4/c1-16-4-2-3-5-18(16)24-25-20(8-9-29-24)21(19-7-6-17(26)14-22(19)27)15-23(30-25)31-12-10-28-11-13-31/h2-9,14-15,28H,10-13H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine?
4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine has a molecular weight of 416.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-2-piperazin-1-yl-1,7-naphthyridine is sourced from PubChem (CID 24898532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).