2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine

C24H16F2N4O — CID 6618470

IUPAC2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine
SMILESCOc1ccc(-c2cn3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3n2)cc1
InChIInChI=1S/C24H16F2N4O/c1-31-20-12-6-15(7-13-20)21-14-30-24(27-21)28-22(16-2-8-18(25)9-3-16)23(29-30)17-4-10-19(26)11-5-17/h2-14H,1H3
InChIKeyRLAXKLYVCRBSBC-UHFFFAOYSA-N
MW414.42 g/mol
LogP5.41
Rot. Bonds4

About 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine

2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 6618470) has the molecular formula C24H16F2N4O and a molecular weight of 414.42 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine
PubChem CID6618470
Molecular FormulaC24H16F2N4O
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine
SMILESCOc1ccc(-c2cn3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3n2)cc1
InChIInChI=1S/C24H16F2N4O/c1-31-20-12-6-15(7-13-20)21-14-30-24(27-21)28-22(16-2-8-18(25)9-3-16)23(29-30)17-4-10-19(26)11-5-17/h2-14H,1H3
InChIKeyRLAXKLYVCRBSBC-UHFFFAOYSA-N
XLogP5.41
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine (CID 6618470) is 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine is COc1ccc(-c2cn3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3n2)cc1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is RLAXKLYVCRBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O/c1-31-20-12-6-15(7-13-20)21-14-30-24(27-21)28-22(16-2-8-18(25)9-3-16)23(29-30)17-4-10-19(26)11-5-17/h2-14H,1H3.
What are the key properties of 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine?
2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 414.42 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 6618470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).