7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

C18H16F3N7 — CID 46226952

IUPAC7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(N2CCN(c3ncccn3)CC2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C18H16F3N7/c19-18(20,21)10-13-12-25-16-14(11-22)15(2-5-28(13)16)26-6-8-27(9-7-26)17-23-3-1-4-24-17/h1-5,12H,6-10H2
InChIKeyIEDYNHIHAZMUGE-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.43
Rot. Bonds3

About 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 46226952) has the molecular formula C18H16F3N7 and a molecular weight of 387.37 g/mol. Its IUPAC name is 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID46226952
Molecular FormulaC18H16F3N7
Molecular Weight387.37 g/mol
Exact Mass387.14
IUPAC Name7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(N2CCN(c3ncccn3)CC2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C18H16F3N7/c19-18(20,21)10-13-12-25-16-14(11-22)15(2-5-28(13)16)26-6-8-27(9-7-26)17-23-3-1-4-24-17/h1-5,12H,6-10H2
InChIKeyIEDYNHIHAZMUGE-UHFFFAOYSA-N
XLogP2.43
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 46226952) is 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(N2CCN(c3ncccn3)CC2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is IEDYNHIHAZMUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7/c19-18(20,21)10-13-12-25-16-14(11-22)15(2-5-28(13)16)26-6-8-27(9-7-26)17-23-3-1-4-24-17/h1-5,12H,6-10H2.
What are the key properties of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 387.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 46226952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).