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

C21H19F3N4 — CID 58103861

IUPAC7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C21H19F3N4/c22-21(23,24)12-17-14-26-20-18(13-25)19(8-11-28(17)20)27-9-6-16(7-10-27)15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12H2
InChIKeyPTPSHTKUQUAFTF-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.69
Rot. Bonds3

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

7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 58103861) has the molecular formula C21H19F3N4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID58103861
Molecular FormulaC21H19F3N4
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C21H19F3N4/c22-21(23,24)12-17-14-26-20-18(13-25)19(8-11-28(17)20)27-9-6-16(7-10-27)15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12H2
InChIKeyPTPSHTKUQUAFTF-UHFFFAOYSA-N
XLogP4.69
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 58103861) is 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is PTPSHTKUQUAFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4/c22-21(23,24)12-17-14-26-20-18(13-25)19(8-11-28(17)20)27-9-6-16(7-10-27)15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12H2.
What are the key properties of 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 384.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 58103861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).