2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole

C19H8F6N4O — CID 86578015

IUPAC2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc3ncc(-c4nc5ccccc5o4)n3c2n1
InChIInChI=1S/C19H8F6N4O/c20-18(21,22)10-7-14(19(23,24)25)28-16-9(10)5-6-15-26-8-12(29(15)16)17-27-11-3-1-2-4-13(11)30-17/h1-8H
InChIKeyXXLHIRPTPWYXRE-UHFFFAOYSA-N
MW422.29 g/mol
LogP5.73
Rot. Bonds1

About 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole

2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole (PubChem CID 86578015) has the molecular formula C19H8F6N4O and a molecular weight of 422.29 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole
PubChem CID86578015
Molecular FormulaC19H8F6N4O
Molecular Weight422.29 g/mol
Exact Mass422.06
IUPAC Name2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc3ncc(-c4nc5ccccc5o4)n3c2n1
InChIInChI=1S/C19H8F6N4O/c20-18(21,22)10-7-14(19(23,24)25)28-16-9(10)5-6-15-26-8-12(29(15)16)17-27-11-3-1-2-4-13(11)30-17/h1-8H
InChIKeyXXLHIRPTPWYXRE-UHFFFAOYSA-N
XLogP5.73
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.29
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole 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

Serabelisib
CID 70798655
MK-3328
CID 44555286
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
5-Fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44552727
5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-oxazolo[5,4-b]pyridine
CID 44555283
7-chloro-2-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235249
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 70798705
5-Fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 71459372
7-chloro-2-ethyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 117859398

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole (CID 86578015) is 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole is FC(F)(F)c1cc(C(F)(F)F)c2ccc3ncc(-c4nc5ccccc5o4)n3c2n1.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole?
The InChIKey is XXLHIRPTPWYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8F6N4O/c20-18(21,22)10-7-14(19(23,24)25)28-16-9(10)5-6-15-26-8-12(29(15)16)17-27-11-3-1-2-4-13(11)30-17/h1-8H.
What are the key properties of 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole?
2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole has a molecular weight of 422.29 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]-1,3-benzoxazole is sourced from PubChem (CID 86578015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).