5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid

C24H21N5O2 — CID 155011390

IUPAC5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2nc(-c3cc4ccccc4n3Cc3cnccn3)c(C)n12
InChIInChI=1S/C24H21N5O2/c1-3-19-10-17(24(30)31)12-22-27-23(15(2)29(19)22)21-11-16-6-4-5-7-20(16)28(21)14-18-13-25-8-9-26-18/h4-13H,3,14H2,1-2H3,(H,30,31)
InChIKeyATYIKPPOPGNOHO-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.36
Rot. Bonds5

About 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid

5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 155011390) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID155011390
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2nc(-c3cc4ccccc4n3Cc3cnccn3)c(C)n12
InChIInChI=1S/C24H21N5O2/c1-3-19-10-17(24(30)31)12-22-27-23(15(2)29(19)22)21-11-16-6-4-5-7-20(16)28(21)14-18-13-25-8-9-26-18/h4-13H,3,14H2,1-2H3,(H,30,31)
InChIKeyATYIKPPOPGNOHO-UHFFFAOYSA-N
XLogP4.36
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 155011390) is 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid is CCc1cc(C(=O)O)cc2nc(-c3cc4ccccc4n3Cc3cnccn3)c(C)n12.
What is the InChIKey of 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is ATYIKPPOPGNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-3-19-10-17(24(30)31)12-22-27-23(15(2)29(19)22)21-11-16-6-4-5-7-20(16)28(21)14-18-13-25-8-9-26-18/h4-13H,3,14H2,1-2H3,(H,30,31).
What are the key properties of 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid?
5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 411.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-[1-(pyrazin-2-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 155011390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).