1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

C26H24ClN3O2 — CID 121309725

IUPAC1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C26H24ClN3O2/c27-22-9-6-19(7-10-22)25-23(17-29-14-12-20(13-15-29)26(31)32)30-16-21(8-11-24(30)28-25)18-4-2-1-3-5-18/h1-11,16,20H,12-15,17H2,(H,31,32)
InChIKeyYBQMZYNVNMSYGK-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.62
Rot. Bonds5

About 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 121309725) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
PubChem CID121309725
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C26H24ClN3O2/c27-22-9-6-19(7-10-22)25-23(17-29-14-12-20(13-15-29)26(31)32)30-16-21(8-11-24(30)28-25)18-4-2-1-3-5-18/h1-11,16,20H,12-15,17H2,(H,31,32)
InChIKeyYBQMZYNVNMSYGK-UHFFFAOYSA-N
XLogP5.62
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid (CID 121309725) is 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is YBQMZYNVNMSYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c27-22-9-6-19(7-10-22)25-23(17-29-14-12-20(13-15-29)26(31)32)30-16-21(8-11-24(30)28-25)18-4-2-1-3-5-18/h1-11,16,20H,12-15,17H2,(H,31,32).
What are the key properties of 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 445.95 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 121309725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).