2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

C25H28N4O3S — CID 46948440

IUPAC2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1cccs1
InChIInChI=1S/C25H28N4O3S/c1-4-22-25(28(2)17-21-6-5-15-33-21)29-16-18(7-12-23(29)27-22)24(30)26-13-14-32-20-10-8-19(31-3)9-11-20/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,26,30)
InChIKeyNJHDXXJXCLSXJB-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.41
Rot. Bonds10

About 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948440) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948440
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1cccs1
InChIInChI=1S/C25H28N4O3S/c1-4-22-25(28(2)17-21-6-5-15-33-21)29-16-18(7-12-23(29)27-22)24(30)26-13-14-32-20-10-8-19(31-3)9-11-20/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,26,30)
InChIKeyNJHDXXJXCLSXJB-UHFFFAOYSA-N
XLogP4.41
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46948440) is 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)Cc1cccs1.
What is the InChIKey of 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NJHDXXJXCLSXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-4-22-25(28(2)17-21-6-5-15-33-21)29-16-18(7-12-23(29)27-22)24(30)26-13-14-32-20-10-8-19(31-3)9-11-20/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,26,30).
What are the key properties of 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).