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

C22H26N6OS — CID 46942674

IUPAC2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)Cc1cccs1
InChIInChI=1S/C22H26N6OS/c1-3-19-22(26(2)15-18-6-4-13-30-18)28-14-17(7-8-20(28)25-19)21(29)24-9-5-11-27-12-10-23-16-27/h4,6-8,10,12-14,16H,3,5,9,11,15H2,1-2H3,(H,24,29)
InChIKeyXDBNFTWALJKQFJ-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.61
Rot. Bonds9

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

2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46942674) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46942674
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)Cc1cccs1
InChIInChI=1S/C22H26N6OS/c1-3-19-22(26(2)15-18-6-4-13-30-18)28-14-17(7-8-20(28)25-19)21(29)24-9-5-11-27-12-10-23-16-27/h4,6-8,10,12-14,16H,3,5,9,11,15H2,1-2H3,(H,24,29)
InChIKeyXDBNFTWALJKQFJ-UHFFFAOYSA-N
XLogP3.61
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.61
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-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46942674) is 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)Cc1cccs1.
What is the InChIKey of 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is XDBNFTWALJKQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-3-19-22(26(2)15-18-6-4-13-30-18)28-14-17(7-8-20(28)25-19)21(29)24-9-5-11-27-12-10-23-16-27/h4,6-8,10,12-14,16H,3,5,9,11,15H2,1-2H3,(H,24,29).
What are the key properties of 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46942674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).