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

C21H25N7OS — CID 46943588

IUPAC2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)Cc1nccs1
InChIInChI=1S/C21H25N7OS/c1-3-17-21(26(2)14-19-23-9-12-30-19)28-13-16(5-6-18(28)25-17)20(29)24-7-4-10-27-11-8-22-15-27/h5-6,8-9,11-13,15H,3-4,7,10,14H2,1-2H3,(H,24,29)
InChIKeyGPAMDFXCOMWBOC-UHFFFAOYSA-N
MW423.55 g/mol
LogP3.01
Rot. Bonds9

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

2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46943588) has the molecular formula C21H25N7OS and a molecular weight of 423.55 g/mol. Its IUPAC name is 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46943588
Molecular FormulaC21H25N7OS
Molecular Weight423.55 g/mol
Exact Mass423.18
IUPAC Name2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)Cc1nccs1
InChIInChI=1S/C21H25N7OS/c1-3-17-21(26(2)14-19-23-9-12-30-19)28-13-16(5-6-18(28)25-17)20(29)24-7-4-10-27-11-8-22-15-27/h5-6,8-9,11-13,15H,3-4,7,10,14H2,1-2H3,(H,24,29)
InChIKeyGPAMDFXCOMWBOC-UHFFFAOYSA-N
XLogP3.01
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46943588) is 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-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(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)Cc1nccs1.
What is the InChIKey of 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GPAMDFXCOMWBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7OS/c1-3-17-21(26(2)14-19-23-9-12-30-19)28-13-16(5-6-18(28)25-17)20(29)24-7-4-10-27-11-8-22-15-27/h5-6,8-9,11-13,15H,3-4,7,10,14H2,1-2H3,(H,24,29).
What are the key properties of 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 423.55 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-imidazol-1-ylpropyl)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46943588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).