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

C22H24N6OS — CID 46942984

IUPAC2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCc3ccccn3)cn2c1N(C)Cc1nccs1
InChIInChI=1S/C22H24N6OS/c1-3-18-22(27(2)15-20-24-12-13-30-20)28-14-16(7-8-19(28)26-18)21(29)25-11-9-17-6-4-5-10-23-17/h4-8,10,12-14H,3,9,11,15H2,1-2H3,(H,25,29)
InChIKeyHTBJFKNANQIIEZ-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.36
Rot. Bonds8

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

2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46942984) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46942984
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC Name2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCc3ccccn3)cn2c1N(C)Cc1nccs1
InChIInChI=1S/C22H24N6OS/c1-3-18-22(27(2)15-20-24-12-13-30-20)28-14-16(7-8-19(28)26-18)21(29)25-11-9-17-6-4-5-10-23-17/h4-8,10,12-14H,3,9,11,15H2,1-2H3,(H,25,29)
InChIKeyHTBJFKNANQIIEZ-UHFFFAOYSA-N
XLogP3.36
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 46942984) is 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCc3ccccn3)cn2c1N(C)Cc1nccs1.
What is the InChIKey of 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is HTBJFKNANQIIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-3-18-22(27(2)15-20-24-12-13-30-20)28-14-16(7-8-19(28)26-18)21(29)25-11-9-17-6-4-5-10-23-17/h4-8,10,12-14H,3,9,11,15H2,1-2H3,(H,25,29).
What are the key properties of 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46942984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).