4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile

C20H13F3N6O — CID 118101499

IUPAC4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C#N)cc4)n3)n2c1
InChIInChI=1S/C20H13F3N6O/c1-30-14-6-7-17-28-19(20(21,22)23)18(29(17)11-14)15-9-25-10-16(27-15)26-13-4-2-12(8-24)3-5-13/h2-7,9-11H,1H3,(H,26,27)
InChIKeyKURLMMNFQGDCRD-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.43
Rot. Bonds4

About 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile

4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile (PubChem CID 118101499) has the molecular formula C20H13F3N6O and a molecular weight of 410.36 g/mol. Its IUPAC name is 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
PubChem CID118101499
Molecular FormulaC20H13F3N6O
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC Name4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C#N)cc4)n3)n2c1
InChIInChI=1S/C20H13F3N6O/c1-30-14-6-7-17-28-19(20(21,22)23)18(29(17)11-14)15-9-25-10-16(27-15)26-13-4-2-12(8-24)3-5-13/h2-7,9-11H,1H3,(H,26,27)
InChIKeyKURLMMNFQGDCRD-UHFFFAOYSA-N
XLogP4.43
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile (CID 118101499) is 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile is COc1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C#N)cc4)n3)n2c1.
What is the InChIKey of 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile?
The InChIKey is KURLMMNFQGDCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O/c1-30-14-6-7-17-28-19(20(21,22)23)18(29(17)11-14)15-9-25-10-16(27-15)26-13-4-2-12(8-24)3-5-13/h2-7,9-11H,1H3,(H,26,27).
What are the key properties of 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile?
4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile has a molecular weight of 410.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile is sourced from PubChem (CID 118101499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).