4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide

C25H24ClN5O2 — CID 46233971

IUPAC4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccn2ccnc12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C25H24ClN5O2/c26-20-6-8-21(9-7-20)33-22-4-1-3-19(17-22)18-29-13-15-31(16-14-29)25(32)28-23-5-2-11-30-12-10-27-24(23)30/h1-12,17H,13-16,18H2,(H,28,32)
InChIKeyGGHMLGLBJZNGKN-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.13
Rot. Bonds5

About 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide (PubChem CID 46233971) 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-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
PubChem CID46233971
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccn2ccnc12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C25H24ClN5O2/c26-20-6-8-21(9-7-20)33-22-4-1-3-19(17-22)18-29-13-15-31(16-14-29)25(32)28-23-5-2-11-30-12-10-27-24(23)30/h1-12,17H,13-16,18H2,(H,28,32)
InChIKeyGGHMLGLBJZNGKN-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-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide (CID 46233971) is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide is O=C(Nc1cccn2ccnc12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide?
The InChIKey is GGHMLGLBJZNGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c26-20-6-8-21(9-7-20)33-22-4-1-3-19(17-22)18-29-13-15-31(16-14-29)25(32)28-23-5-2-11-30-12-10-27-24(23)30/h1-12,17H,13-16,18H2,(H,28,32).
What are the key properties of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide?
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-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-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46233971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).