2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol

C23H25ClF3N3O — CID 58103865

IUPAC2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C1CCN(c2ccn3c(CC(F)(F)F)cnc3c2Cl)CC1
InChIInChI=1S/C23H25ClF3N3O/c1-22(2,31)18-6-4-3-5-17(18)15-7-10-29(11-8-15)19-9-12-30-16(13-23(25,26)27)14-28-21(30)20(19)24/h3-6,9,12,14-15,31H,7-8,10-11,13H2,1-2H3
InChIKeySBFURCWJIKPNLQ-UHFFFAOYSA-N
MW451.92 g/mol
LogP5.70
Rot. Bonds4

About 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol

2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol (PubChem CID 58103865) has the molecular formula C23H25ClF3N3O and a molecular weight of 451.92 g/mol. Its IUPAC name is 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol
PubChem CID58103865
Molecular FormulaC23H25ClF3N3O
Molecular Weight451.92 g/mol
Exact Mass451.16
IUPAC Name2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C1CCN(c2ccn3c(CC(F)(F)F)cnc3c2Cl)CC1
InChIInChI=1S/C23H25ClF3N3O/c1-22(2,31)18-6-4-3-5-17(18)15-7-10-29(11-8-15)19-9-12-30-16(13-23(25,26)27)14-28-21(30)20(19)24/h3-6,9,12,14-15,31H,7-8,10-11,13H2,1-2H3
InChIKeySBFURCWJIKPNLQ-UHFFFAOYSA-N
XLogP5.70
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.92
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(2-(4-Chlorophenyl)imidazo(1,2-a)-pyridin-6-yl)phenyl)propan-2-ol
CID 24759785
{3-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl}methanol
CID 24856034
{3-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorophenyl}methanol
CID 44231745
{3-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl}-methanol
CID 44231857
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
CID 44539387
Racemic 1-{3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl}ethanol
CID 67046247
2-(5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730379
2-(5-(3-Chloro-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730380
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
2-[5-(3-Cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]propan-2-ol
CID 89471892
6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde O-(3-fluorobenzyl)oxime
CID 9632784
2-[3-Chloro-4-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)phenyl]propan-2-ol
CID 44459033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol (CID 58103865) is 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1C1CCN(c2ccn3c(CC(F)(F)F)cnc3c2Cl)CC1.
What is the InChIKey of 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol?
The InChIKey is SBFURCWJIKPNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N3O/c1-22(2,31)18-6-4-3-5-17(18)15-7-10-29(11-8-15)19-9-12-30-16(13-23(25,26)27)14-28-21(30)20(19)24/h3-6,9,12,14-15,31H,7-8,10-11,13H2,1-2H3.
What are the key properties of 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol?
2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol has a molecular weight of 451.92 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol is sourced from PubChem (CID 58103865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).