2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C32H28F3N5O — CID 20790677

IUPAC2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C32H28F3N5O/c33-32(34,35)26-20-28(39-18-16-38(17-19-39)22-23-10-4-1-5-11-23)37-31-30(26)27(41)21-29(36-24-12-6-2-7-13-24)40(31)25-14-8-3-9-15-25/h1-15,20-21,36H,16-19,22H2
InChIKeyQPRCFYIKIBZPHA-UHFFFAOYSA-N
MW555.60 g/mol
LogP6.47
Rot. Bonds6

About 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790677) has the molecular formula C32H28F3N5O and a molecular weight of 555.60 g/mol. Its IUPAC name is 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790677
Molecular FormulaC32H28F3N5O
Molecular Weight555.60 g/mol
Exact Mass555.22
IUPAC Name2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C32H28F3N5O/c33-32(34,35)26-20-28(39-18-16-38(17-19-39)22-23-10-4-1-5-11-23)37-31-30(26)27(41)21-29(36-24-12-6-2-7-13-24)40(31)25-14-8-3-9-15-25/h1-15,20-21,36H,16-19,22H2
InChIKeyQPRCFYIKIBZPHA-UHFFFAOYSA-N
XLogP6.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.60
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-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 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790677) is 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is QPRCFYIKIBZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N5O/c33-32(34,35)26-20-28(39-18-16-38(17-19-39)22-23-10-4-1-5-11-23)37-31-30(26)27(41)21-29(36-24-12-6-2-7-13-24)40(31)25-14-8-3-9-15-25/h1-15,20-21,36H,16-19,22H2.
What are the key properties of 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 555.60 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(4-benzylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).