8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine

C18H8F7N3 — CID 2768137

IUPAC8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
SMILESFc1ccc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)cc1
InChIInChI=1S/C18H8F7N3/c19-10-3-1-9(2-4-10)13-8-28-15(26-13)6-5-11-12(17(20,21)22)7-14(18(23,24)25)27-16(11)28/h1-8H
InChIKeyYVGVPKLTMGMCPC-UHFFFAOYSA-N
MW399.27 g/mol
LogP5.73
Rot. Bonds1

About 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine

8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine (PubChem CID 2768137) has the molecular formula C18H8F7N3 and a molecular weight of 399.27 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
PubChem CID2768137
Molecular FormulaC18H8F7N3
Molecular Weight399.27 g/mol
Exact Mass399.06
IUPAC Name8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
SMILESFc1ccc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)cc1
InChIInChI=1S/C18H8F7N3/c19-10-3-1-9(2-4-10)13-8-28-15(26-13)6-5-11-12(17(20,21)22)7-14(18(23,24)25)27-16(11)28/h1-8H
InChIKeyYVGVPKLTMGMCPC-UHFFFAOYSA-N
XLogP5.73
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.27
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
CID 139055155
[5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol
CID 142297931
ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
CID 170622725
2-[(Z)-2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]ethenyl]-1,3,4-oxadiazole
CID 142297975
[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone
CID 122194826
2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
CID 71556858
N-methyl-N-[2-(methylamino)ethyl]-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide
CID 122194831
4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline
CID 165175638
2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
CID 170622845
1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090924
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
2-[2-prop-1-en-2-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
CID 170622764

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The IUPAC name of 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine (CID 2768137) is 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine is Fc1ccc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The InChIKey is YVGVPKLTMGMCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F7N3/c19-10-3-1-9(2-4-10)13-8-28-15(26-13)6-5-11-12(17(20,21)22)7-14(18(23,24)25)27-16(11)28/h1-8H.
What are the key properties of 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine has a molecular weight of 399.27 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 2768137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).