7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

C20H20F3N7 — CID 46227792

IUPAC7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCc1cc(C)nc(N2CCN(c3ccn4c(CC(F)(F)F)cnc4c3C#N)CC2)n1
InChIInChI=1S/C20H20F3N7/c1-13-9-14(2)27-19(26-13)29-7-5-28(6-8-29)17-3-4-30-15(10-20(21,22)23)12-25-18(30)16(17)11-24/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyFRILHYBVHIDOAG-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.04
Rot. Bonds3

About 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 46227792) has the molecular formula C20H20F3N7 and a molecular weight of 415.42 g/mol. Its IUPAC name is 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID46227792
Molecular FormulaC20H20F3N7
Molecular Weight415.42 g/mol
Exact Mass415.17
IUPAC Name7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCc1cc(C)nc(N2CCN(c3ccn4c(CC(F)(F)F)cnc4c3C#N)CC2)n1
InChIInChI=1S/C20H20F3N7/c1-13-9-14(2)27-19(26-13)29-7-5-28(6-8-29)17-3-4-30-15(10-20(21,22)23)12-25-18(30)16(17)11-24/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyFRILHYBVHIDOAG-UHFFFAOYSA-N
XLogP3.04
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 46227792) is 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is Cc1cc(C)nc(N2CCN(c3ccn4c(CC(F)(F)F)cnc4c3C#N)CC2)n1.
What is the InChIKey of 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is FRILHYBVHIDOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7/c1-13-9-14(2)27-19(26-13)29-7-5-28(6-8-29)17-3-4-30-15(10-20(21,22)23)12-25-18(30)16(17)11-24/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 415.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 46227792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).