6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile

C21H14F3N5O — CID 118094987

IUPAC6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2ccc(C#N)c(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C21H14F3N5O/c1-30-15-8-6-14(7-9-15)26-16-10-5-13(12-25)18(27-16)19-20(21(22,23)24)28-17-4-2-3-11-29(17)19/h2-11H,1H3,(H,26,27)
InChIKeyTUPNJLCCPJGHDG-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.04
Rot. Bonds4

About 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile

6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile (PubChem CID 118094987) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile
PubChem CID118094987
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC Name6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2ccc(C#N)c(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C21H14F3N5O/c1-30-15-8-6-14(7-9-15)26-16-10-5-13(12-25)18(27-16)19-20(21(22,23)24)28-17-4-2-3-11-29(17)19/h2-11H,1H3,(H,26,27)
InChIKeyTUPNJLCCPJGHDG-UHFFFAOYSA-N
XLogP5.04
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Sch 28080
CID 108137
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2,4-Disubstituted Pyrimidine 2g
CID 5329420
Rwj-68354
CID 9819053
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
2-[(4-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}phenyl)amino]-1h-Benzimidazole-6-Carbonitrile
CID 59326984
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
2-[3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 66788835

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile (CID 118094987) is 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile is COc1ccc(Nc2ccc(C#N)c(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile?
The InChIKey is TUPNJLCCPJGHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c1-30-15-8-6-14(7-9-15)26-16-10-5-13(12-25)18(27-16)19-20(21(22,23)24)28-17-4-2-3-11-29(17)19/h2-11H,1H3,(H,26,27).
What are the key properties of 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile?
6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile has a molecular weight of 409.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 118094987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).