2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine

C25H17F3N4O — CID 57438925

IUPAC2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)n1
InChIInChI=1S/C25H17F3N4O/c1-16-5-4-6-20(30-16)23-24(32-14-3-2-7-22(32)31-23)18-12-13-29-21(15-18)17-8-10-19(11-9-17)33-25(26,27)28/h2-15H,1H3
InChIKeyLPTKMSBAYDKSSZ-UHFFFAOYSA-N
MW446.43 g/mol
LogP6.33
Rot. Bonds4

About 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine

2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 57438925) has the molecular formula C25H17F3N4O and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID57438925
Molecular FormulaC25H17F3N4O
Molecular Weight446.43 g/mol
Exact Mass446.14
IUPAC Name2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)n1
InChIInChI=1S/C25H17F3N4O/c1-16-5-4-6-20(30-16)23-24(32-14-3-2-7-22(32)31-23)18-12-13-29-21(15-18)17-8-10-19(11-9-17)33-25(26,27)28/h2-15H,1H3
InChIKeyLPTKMSBAYDKSSZ-UHFFFAOYSA-N
XLogP6.33
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine (CID 57438925) is 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine is Cc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is LPTKMSBAYDKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O/c1-16-5-4-6-20(30-16)23-24(32-14-3-2-7-22(32)31-23)18-12-13-29-21(15-18)17-8-10-19(11-9-17)33-25(26,27)28/h2-15H,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine?
2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 446.43 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-3-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 57438925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).