4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one

C27H25F3N4O — CID 150555248

IUPAC4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one
SMILESCc1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(F)c(=O)n2C
InChIInChI=1S/C27H25F3N4O/c1-17-3-12-22-24(31-17)26(23(30)27(35)32(22)2)34-15-13-33(14-16-34)25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h3-12,25H,13-16H2,1-2H3
InChIKeyIISCKPGEOFVEBA-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.57
Rot. Bonds4

About 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one

4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one (PubChem CID 150555248) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one
PubChem CID150555248
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one
SMILESCc1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(F)c(=O)n2C
InChIInChI=1S/C27H25F3N4O/c1-17-3-12-22-24(31-17)26(23(30)27(35)32(22)2)34-15-13-33(14-16-34)25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h3-12,25H,13-16H2,1-2H3
InChIKeyIISCKPGEOFVEBA-UHFFFAOYSA-N
XLogP4.57
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one 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 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one?
The IUPAC name of 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one (CID 150555248) is 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one?
The canonical SMILES for 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one is Cc1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(F)c(=O)n2C.
What is the InChIKey of 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one?
The InChIKey is IISCKPGEOFVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-17-3-12-22-24(31-17)26(23(30)27(35)32(22)2)34-15-13-33(14-16-34)25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h3-12,25H,13-16H2,1-2H3.
What are the key properties of 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one?
4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one has a molecular weight of 478.52 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-fluoro-1,6-dimethyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 150555248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).