1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine

C21H16F4N2 — CID 68900487

IUPAC1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine
SMILESFc1ccc(N2C=CC=C3CCNC(c4ccc(C(F)(F)F)cc4)=C32)cc1
InChIInChI=1S/C21H16F4N2/c22-17-7-9-18(10-8-17)27-13-1-2-15-11-12-26-19(20(15)27)14-3-5-16(6-4-14)21(23,24)25/h1-10,13,26H,11-12H2
InChIKeyYGMXLJYMLUJEDM-UHFFFAOYSA-N
MW372.37 g/mol
LogP5.47
Rot. Bonds2

About 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine

1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine (PubChem CID 68900487) has the molecular formula C21H16F4N2 and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine
PubChem CID68900487
Molecular FormulaC21H16F4N2
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine
SMILESFc1ccc(N2C=CC=C3CCNC(c4ccc(C(F)(F)F)cc4)=C32)cc1
InChIInChI=1S/C21H16F4N2/c22-17-7-9-18(10-8-17)27-13-1-2-15-11-12-26-19(20(15)27)14-3-5-16(6-4-14)21(23,24)25/h1-10,13,26H,11-12H2
InChIKeyYGMXLJYMLUJEDM-UHFFFAOYSA-N
XLogP5.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(trifluoromethyl)phenyl]-1,5-dihydropyrazole
CID 19896882
(1E,3Z,5Z)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397618
4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
CID 56951008
6-ethyl-3-[4-(trifluoromethyl)phenyl]-1,3-diazepane-2,4-dione
CID 81068565
3-ethyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4268812
6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine
CID 175930741
1-(4-tert-butylphenyl)-3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545285
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
(1E,3Z,5Z)-1-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]phenyl]cycloocta-1,3,5-triene
CID 170397812
1-(2-fluorocyclopenten-1-yl)-4-(trifluoromethyl)benzene
CID 11206961
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine
CID 118167040

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine (CID 68900487) is 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine is Fc1ccc(N2C=CC=C3CCNC(c4ccc(C(F)(F)F)cc4)=C32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine?
The InChIKey is YGMXLJYMLUJEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2/c22-17-7-9-18(10-8-17)27-13-1-2-15-11-12-26-19(20(15)27)14-3-5-16(6-4-14)21(23,24)25/h1-10,13,26H,11-12H2.
What are the key properties of 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine?
1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine has a molecular weight of 372.37 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 68900487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).