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

C20H12F4N6O — CID 118095035

IUPAC2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
SMILESCc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H12F4N6O/c1-11-18(30-10-13(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-14-2-4-15(5-3-14)31-20(22,23)24/h2-7,9-10H,1H3,(H,28,29)
InChIKeyDKVAMUKNCFRQCF-UHFFFAOYSA-N
MW428.35 g/mol
LogP4.75
Rot. Bonds4

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

2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile (PubChem CID 118095035) has the molecular formula C20H12F4N6O and a molecular weight of 428.35 g/mol. Its IUPAC name is 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
PubChem CID118095035
Molecular FormulaC20H12F4N6O
Molecular Weight428.35 g/mol
Exact Mass428.10
IUPAC Name2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
SMILESCc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H12F4N6O/c1-11-18(30-10-13(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-14-2-4-15(5-3-14)31-20(22,23)24/h2-7,9-10H,1H3,(H,28,29)
InChIKeyDKVAMUKNCFRQCF-UHFFFAOYSA-N
XLogP4.75
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile (CID 118095035) is 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile is Cc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The InChIKey is DKVAMUKNCFRQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N6O/c1-11-18(30-10-13(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-14-2-4-15(5-3-14)31-20(22,23)24/h2-7,9-10H,1H3,(H,28,29).
What are the key properties of 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile has a molecular weight of 428.35 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 118095035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).