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

C21H14F3N5O — CID 118094964

IUPAC2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)cc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C21H14F3N5O/c1-30-15-7-5-14(6-8-15)26-17-11-13(12-25)10-16(27-17)19-20(21(22,23)24)28-18-4-2-3-9-29(18)19/h2-11H,1H3,(H,26,27)
InChIKeySPORLKDRAGKUEK-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.04
Rot. Bonds4

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

2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (PubChem CID 118094964) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
PubChem CID118094964
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC Name2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)cc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C21H14F3N5O/c1-30-15-7-5-14(6-8-15)26-17-11-13(12-25)10-16(27-17)19-20(21(22,23)24)28-18-4-2-3-9-29(18)19/h2-11H,1H3,(H,26,27)
InChIKeySPORLKDRAGKUEK-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (CID 118094964) is 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is COc1ccc(Nc2cc(C#N)cc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The InChIKey is SPORLKDRAGKUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c1-30-15-7-5-14(6-8-15)26-17-11-13(12-25)10-16(27-17)19-20(21(22,23)24)28-18-4-2-3-9-29(18)19/h2-11H,1H3,(H,26,27).
What are the key properties of 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-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 2-(4-methoxyanilino)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 118094964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).