4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide

C25H24ClN5O2 — CID 46233810

IUPAC4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2nccn2c1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C25H24ClN5O2/c26-20-4-7-22(8-5-20)33-23-3-1-2-19(16-23)17-29-12-14-30(15-13-29)25(32)28-21-6-9-24-27-10-11-31(24)18-21/h1-11,16,18H,12-15,17H2,(H,28,32)
InChIKeyLEIGPBUJBWERCE-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.13
Rot. Bonds5

About 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide (PubChem CID 46233810) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide
PubChem CID46233810
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2nccn2c1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C25H24ClN5O2/c26-20-4-7-22(8-5-20)33-23-3-1-2-19(16-23)17-29-12-14-30(15-13-29)25(32)28-21-6-9-24-27-10-11-31(24)18-21/h1-11,16,18H,12-15,17H2,(H,28,32)
InChIKeyLEIGPBUJBWERCE-UHFFFAOYSA-N
XLogP5.13
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide (CID 46233810) is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide is O=C(Nc1ccc2nccn2c1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide?
The InChIKey is LEIGPBUJBWERCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c26-20-4-7-22(8-5-20)33-23-3-1-2-19(16-23)17-29-12-14-30(15-13-29)25(32)28-21-6-9-24-27-10-11-31(24)18-21/h1-11,16,18H,12-15,17H2,(H,28,32).
What are the key properties of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide?
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46233810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).