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

C21H21F4N3 — CID 130238953

IUPAC7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine
SMILESCc1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C21H21F4N3/c1-15-18(7-10-28-17(13-21(23,24)25)14-26-19(15)28)27-11-8-20(22,9-12-27)16-5-3-2-4-6-16/h2-7,10,14H,8-9,11-13H2,1H3
InChIKeyLHCZVEJNCUTUBB-UHFFFAOYSA-N
MW391.41 g/mol
LogP5.21
Rot. Bonds3

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

7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine (PubChem CID 130238953) has the molecular formula C21H21F4N3 and a molecular weight of 391.41 g/mol. Its IUPAC name is 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine
PubChem CID130238953
Molecular FormulaC21H21F4N3
Molecular Weight391.41 g/mol
Exact Mass391.17
IUPAC Name7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine
SMILESCc1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C21H21F4N3/c1-15-18(7-10-28-17(13-21(23,24)25)14-26-19(15)28)27-11-8-20(22,9-12-27)16-5-3-2-4-6-16/h2-7,10,14H,8-9,11-13H2,1H3
InChIKeyLHCZVEJNCUTUBB-UHFFFAOYSA-N
XLogP5.21
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Tegobuvir
CID 23649154
Miransertib
CID 53262401
SB-220025
CID 5164
PF-4708671
CID 51371303
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
L-790070
CID 9806182
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
CGS 12066B-parent
CID 2689
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine (CID 130238953) is 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine is Cc1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine?
The InChIKey is LHCZVEJNCUTUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N3/c1-15-18(7-10-28-17(13-21(23,24)25)14-26-19(15)28)27-11-8-20(22,9-12-27)16-5-3-2-4-6-16/h2-7,10,14H,8-9,11-13H2,1H3.
What are the key properties of 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine?
7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine has a molecular weight of 391.41 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 130238953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).