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

C22H16F3N5O — CID 118094648

IUPAC2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
SMILESCOc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1
InChIInChI=1S/C22H16F3N5O/c1-13-21(30-12-17(31-2)7-8-20(30)27-13)18-9-14(11-26)10-19(29-18)28-16-5-3-15(4-6-16)22(23,24)25/h3-10,12H,1-2H3,(H,28,29)
InChIKeyHOFJGWLRBNEPRJ-UHFFFAOYSA-N
MW423.40 g/mol
LogP5.35
Rot. Bonds4

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

2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile (PubChem CID 118094648) has the molecular formula C22H16F3N5O and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
PubChem CID118094648
Molecular FormulaC22H16F3N5O
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
SMILESCOc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1
InChIInChI=1S/C22H16F3N5O/c1-13-21(30-12-17(31-2)7-8-20(30)27-13)18-9-14(11-26)10-19(29-18)28-16-5-3-15(4-6-16)22(23,24)25/h3-10,12H,1-2H3,(H,28,29)
InChIKeyHOFJGWLRBNEPRJ-UHFFFAOYSA-N
XLogP5.35
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile (CID 118094648) is 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile is COc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1.
What is the InChIKey of 2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The InChIKey is HOFJGWLRBNEPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O/c1-13-21(30-12-17(31-2)7-8-20(30)27-13)18-9-14(11-26)10-19(29-18)28-16-5-3-15(4-6-16)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-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile has a molecular weight of 423.40 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(trifluoromethyl)anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 118094648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).