2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine

C23H23N3O3S — CID 70991681

IUPAC2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCCc1nc2c(N)cccn2c1-c1cccc(COc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C23H23N3O3S/c1-3-21-22(26-12-6-11-20(24)23(26)25-21)17-8-4-7-16(13-17)15-29-18-9-5-10-19(14-18)30(2,27)28/h4-14H,3,15,24H2,1-2H3
InChIKeyYLAYCCFFJATGFT-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.13
Rot. Bonds6

About 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine

2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 70991681) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID70991681
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCCc1nc2c(N)cccn2c1-c1cccc(COc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C23H23N3O3S/c1-3-21-22(26-12-6-11-20(24)23(26)25-21)17-8-4-7-16(13-17)15-29-18-9-5-10-19(14-18)30(2,27)28/h4-14H,3,15,24H2,1-2H3
InChIKeyYLAYCCFFJATGFT-UHFFFAOYSA-N
XLogP4.13
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine (CID 70991681) is 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine is CCc1nc2c(N)cccn2c1-c1cccc(COc2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is YLAYCCFFJATGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-3-21-22(26-12-6-11-20(24)23(26)25-21)17-8-4-7-16(13-17)15-29-18-9-5-10-19(14-18)30(2,27)28/h4-14H,3,15,24H2,1-2H3.
What are the key properties of 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine?
2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 421.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[3-[(3-methylsulfonylphenoxy)methyl]phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 70991681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).