3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine

C21H22F3N3 — CID 141345673

IUPAC3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1nc2ccccn2c1CN1CCCC(c2ccccc2)CC1
InChIInChI=1S/C21H22F3N3/c22-21(23,24)20-18(27-13-5-4-10-19(27)25-20)15-26-12-6-9-17(11-14-26)16-7-2-1-3-8-16/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2
InChIKeyOMSCBCMEBYPUJO-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.12
Rot. Bonds3

About 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 141345673) has the molecular formula C21H22F3N3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID141345673
Molecular FormulaC21H22F3N3
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1nc2ccccn2c1CN1CCCC(c2ccccc2)CC1
InChIInChI=1S/C21H22F3N3/c22-21(23,24)20-18(27-13-5-4-10-19(27)25-20)15-26-12-6-9-17(11-14-26)16-7-2-1-3-8-16/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2
InChIKeyOMSCBCMEBYPUJO-UHFFFAOYSA-N
XLogP5.12
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-phenylazepan-1-yl)ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 171321226
1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
3-butyl-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459579
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 92626009
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
2-methyl-3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 95862606
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
(4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylazepane
CID 99838451
N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline
CID 23497657
2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 99940385

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 141345673) is 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine is FC(F)(F)c1nc2ccccn2c1CN1CCCC(c2ccccc2)CC1.
What is the InChIKey of 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is OMSCBCMEBYPUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3/c22-21(23,24)20-18(27-13-5-4-10-19(27)25-20)15-26-12-6-9-17(11-14-26)16-7-2-1-3-8-16/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2.
What are the key properties of 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 373.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylazepan-1-yl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 141345673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).