3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine

C24H22N6O — CID 57456761

IUPAC3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(-c3ccccc3OC)cn12
InChIInChI=1S/C24H22N6O/c1-3-20-19(16-29-14-13-27-24(29)23-25-11-6-12-26-23)28-22-10-9-17(15-30(20)22)18-7-4-5-8-21(18)31-2/h4-15H,3,16H2,1-2H3
InChIKeyVZMWLZZMMCXSSZ-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.27
Rot. Bonds6

About 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine

3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 57456761) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID57456761
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(-c3ccccc3OC)cn12
InChIInChI=1S/C24H22N6O/c1-3-20-19(16-29-14-13-27-24(29)23-25-11-6-12-26-23)28-22-10-9-17(15-30(20)22)18-7-4-5-8-21(18)31-2/h4-15H,3,16H2,1-2H3
InChIKeyVZMWLZZMMCXSSZ-UHFFFAOYSA-N
XLogP4.27
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine (CID 57456761) is 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine is CCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(-c3ccccc3OC)cn12.
What is the InChIKey of 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is VZMWLZZMMCXSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-3-20-19(16-29-14-13-27-24(29)23-25-11-6-12-26-23)28-22-10-9-17(15-30(20)22)18-7-4-5-8-21(18)31-2/h4-15H,3,16H2,1-2H3.
What are the key properties of 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine?
3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 410.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 57456761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).