2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile

C20H12F4N6O — CID 118101508

IUPAC2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile
SMILESCc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C20H12F4N6O/c1-10-18(30-9-12(21)8-26-20(30)27-10)15-4-11(7-25)5-17(29-15)28-13-2-3-16(14(22)6-13)31-19(23)24/h2-6,8-9,19H,1H3,(H,28,29)
InChIKeyLTXRZPXGAWWDGO-UHFFFAOYSA-N
MW428.35 g/mol
LogP4.59
Rot. Bonds5

About 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile

2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile (PubChem CID 118101508) has the molecular formula C20H12F4N6O and a molecular weight of 428.35 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile
PubChem CID118101508
Molecular FormulaC20H12F4N6O
Molecular Weight428.35 g/mol
Exact Mass428.10
IUPAC Name2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile
SMILESCc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C20H12F4N6O/c1-10-18(30-9-12(21)8-26-20(30)27-10)15-4-11(7-25)5-17(29-15)28-13-2-3-16(14(22)6-13)31-19(23)24/h2-6,8-9,19H,1H3,(H,28,29)
InChIKeyLTXRZPXGAWWDGO-UHFFFAOYSA-N
XLogP4.59
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile (CID 118101508) is 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile is Cc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile?
The InChIKey is LTXRZPXGAWWDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N6O/c1-10-18(30-9-12(21)8-26-20(30)27-10)15-4-11(7-25)5-17(29-15)28-13-2-3-16(14(22)6-13)31-19(23)24/h2-6,8-9,19H,1H3,(H,28,29).
What are the key properties of 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile has a molecular weight of 428.35 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 118101508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).