6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine

C26H17F6N3 — CID 86578056

IUPAC6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
SMILESCc1ccc(-c2cc3c(C(F)(F)F)cc(C(F)(F)F)nc3n3c(-c4ccc(C)cc4)cnc23)cc1
InChIInChI=1S/C26H17F6N3/c1-14-3-7-16(8-4-14)18-11-19-20(25(27,28)29)12-22(26(30,31)32)34-24(19)35-21(13-33-23(18)35)17-9-5-15(2)6-10-17/h3-13H,1-2H3
InChIKeyYTKAUUALJGLEDR-UHFFFAOYSA-N
MW485.43 g/mol
LogP7.87
Rot. Bonds2

About 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine

6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine (PubChem CID 86578056) has the molecular formula C26H17F6N3 and a molecular weight of 485.43 g/mol. Its IUPAC name is 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
PubChem CID86578056
Molecular FormulaC26H17F6N3
Molecular Weight485.43 g/mol
Exact Mass485.13
IUPAC Name6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
SMILESCc1ccc(-c2cc3c(C(F)(F)F)cc(C(F)(F)F)nc3n3c(-c4ccc(C)cc4)cnc23)cc1
InChIInChI=1S/C26H17F6N3/c1-14-3-7-16(8-4-14)18-11-19-20(25(27,28)29)12-22(26(30,31)32)34-24(19)35-21(13-33-23(18)35)17-9-5-15(2)6-10-17/h3-13H,1-2H3
InChIKeyYTKAUUALJGLEDR-UHFFFAOYSA-N
XLogP7.87
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The IUPAC name of 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine (CID 86578056) is 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine is Cc1ccc(-c2cc3c(C(F)(F)F)cc(C(F)(F)F)nc3n3c(-c4ccc(C)cc4)cnc23)cc1.
What is the InChIKey of 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The InChIKey is YTKAUUALJGLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F6N3/c1-14-3-7-16(8-4-14)18-11-19-20(25(27,28)29)12-22(26(30,31)32)34-24(19)35-21(13-33-23(18)35)17-9-5-15(2)6-10-17/h3-13H,1-2H3.
What are the key properties of 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine has a molecular weight of 485.43 g/mol, XLogP of 7.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 86578056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).