N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine

C25H24ClN3O — CID 121309742

IUPACN-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine
SMILESClc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CNC2CCOCC2)cc1
InChIInChI=1S/C25H24ClN3O/c26-21-9-6-19(7-10-21)25-23(16-27-22-12-14-30-15-13-22)29-17-20(8-11-24(29)28-25)18-4-2-1-3-5-18/h1-11,17,22,27H,12-16H2
InChIKeyHMRUEQWBSGCRCE-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.59
Rot. Bonds5

About N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine

N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine (PubChem CID 121309742) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine
PubChem CID121309742
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine
SMILESClc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CNC2CCOCC2)cc1
InChIInChI=1S/C25H24ClN3O/c26-21-9-6-19(7-10-21)25-23(16-27-22-12-14-30-15-13-22)29-17-20(8-11-24(29)28-25)18-4-2-1-3-5-18/h1-11,17,22,27H,12-16H2
InChIKeyHMRUEQWBSGCRCE-UHFFFAOYSA-N
XLogP5.59
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine (CID 121309742) is N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine is Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CNC2CCOCC2)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine?
The InChIKey is HMRUEQWBSGCRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c26-21-9-6-19(7-10-21)25-23(16-27-22-12-14-30-15-13-22)29-17-20(8-11-24(29)28-25)18-4-2-1-3-5-18/h1-11,17,22,27H,12-16H2.
What are the key properties of N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine?
N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine has a molecular weight of 417.94 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]oxan-4-amine is sourced from PubChem (CID 121309742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).