2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile

C22H16F3N5O2 — CID 118095092

IUPAC2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
SMILESCOc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1
InChIInChI=1S/C22H16F3N5O2/c1-13-21(30-12-17(31-2)7-8-20(30)27-13)18-9-14(11-26)10-19(29-18)28-15-3-5-16(6-4-15)32-22(23,24)25/h3-10,12H,1-2H3,(H,28,29)
InChIKeyCGUSHDDNCJTLIE-UHFFFAOYSA-N
MW439.40 g/mol
LogP5.23
Rot. Bonds5

About 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile

2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile (PubChem CID 118095092) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
PubChem CID118095092
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
SMILESCOc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1
InChIInChI=1S/C22H16F3N5O2/c1-13-21(30-12-17(31-2)7-8-20(30)27-13)18-9-14(11-26)10-19(29-18)28-15-3-5-16(6-4-15)32-22(23,24)25/h3-10,12H,1-2H3,(H,28,29)
InChIKeyCGUSHDDNCJTLIE-UHFFFAOYSA-N
XLogP5.23
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile 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

2-(4-methoxyanilino)-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 122578345
2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 122578353
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)pyridin-2-amine
CID 118094774
N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile
CID 159744803
6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)pyrazin-2-amine
CID 118094686
4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]phenol
CID 118094614
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
CID 118095153
N-(4-chlorophenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 118094925
6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylpyrazin-2-amine
CID 118094659
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 122578371
6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
CID 155541028
N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 118101462

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile (CID 118095092) is 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile is COc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1.
What is the InChIKey of 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The InChIKey is CGUSHDDNCJTLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-13-21(30-12-17(31-2)7-8-20(30)27-13)18-9-14(11-26)10-19(29-18)28-15-3-5-16(6-4-15)32-22(23,24)25/h3-10,12H,1-2H3,(H,28,29).
What are the key properties of 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile has a molecular weight of 439.40 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 118095092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).