N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine

C23H26ClF3N6 — CID 170155884

IUPACN-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine
SMILESCCN1CCN(c2cnc3cc(Cl)nc(NCCc4cc(N)cc(C(F)(F)F)c4)c3c2)CC1
InChIInChI=1S/C23H26ClF3N6/c1-2-32-5-7-33(8-6-32)18-12-19-20(30-14-18)13-21(24)31-22(19)29-4-3-15-9-16(23(25,26)27)11-17(28)10-15/h9-14H,2-8,28H2,1H3,(H,29,31)
InChIKeyUPIHDFSMEKRQAJ-UHFFFAOYSA-N
MW478.95 g/mol
LogP4.68
Rot. Bonds6

About N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine

N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine (PubChem CID 170155884) has the molecular formula C23H26ClF3N6 and a molecular weight of 478.95 g/mol. Its IUPAC name is N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine
PubChem CID170155884
Molecular FormulaC23H26ClF3N6
Molecular Weight478.95 g/mol
Exact Mass478.19
IUPAC NameN-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine
SMILESCCN1CCN(c2cnc3cc(Cl)nc(NCCc4cc(N)cc(C(F)(F)F)c4)c3c2)CC1
InChIInChI=1S/C23H26ClF3N6/c1-2-32-5-7-33(8-6-32)18-12-19-20(30-14-18)13-21(24)31-22(19)29-4-3-15-9-16(23(25,26)27)11-17(28)10-15/h9-14H,2-8,28H2,1H3,(H,29,31)
InChIKeyUPIHDFSMEKRQAJ-UHFFFAOYSA-N
XLogP4.68
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.95
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine 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 N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine?
The IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine (CID 170155884) is N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine?
The canonical SMILES for N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine is CCN1CCN(c2cnc3cc(Cl)nc(NCCc4cc(N)cc(C(F)(F)F)c4)c3c2)CC1.
What is the InChIKey of N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine?
The InChIKey is UPIHDFSMEKRQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N6/c1-2-32-5-7-33(8-6-32)18-12-19-20(30-14-18)13-21(24)31-22(19)29-4-3-15-9-16(23(25,26)27)11-17(28)10-15/h9-14H,2-8,28H2,1H3,(H,29,31).
What are the key properties of N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine?
N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine has a molecular weight of 478.95 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine is sourced from PubChem (CID 170155884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).