8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine

C24H33N3O2S — CID 22024365

IUPAC8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine
SMILESCCCN(CCC)c1c(SC)nc2c(-c3c(OC)cc(CC)cc3OC)cccn12
InChIInChI=1S/C24H33N3O2S/c1-7-12-26(13-8-2)24-23(30-6)25-22-18(11-10-14-27(22)24)21-19(28-4)15-17(9-3)16-20(21)29-5/h10-11,14-16H,7-9,12-13H2,1-6H3
InChIKeyJDESBZJXVWREFV-UHFFFAOYSA-N
MW427.61 g/mol
LogP5.93
Rot. Bonds10

About 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine

8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine (PubChem CID 22024365) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine
PubChem CID22024365
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC Name8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine
SMILESCCCN(CCC)c1c(SC)nc2c(-c3c(OC)cc(CC)cc3OC)cccn12
InChIInChI=1S/C24H33N3O2S/c1-7-12-26(13-8-2)24-23(30-6)25-22-18(11-10-14-27(22)24)21-19(28-4)15-17(9-3)16-20(21)29-5/h10-11,14-16H,7-9,12-13H2,1-6H3
InChIKeyJDESBZJXVWREFV-UHFFFAOYSA-N
XLogP5.93
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.61
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine (CID 22024365) is 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine is CCCN(CCC)c1c(SC)nc2c(-c3c(OC)cc(CC)cc3OC)cccn12.
What is the InChIKey of 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is JDESBZJXVWREFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-7-12-26(13-8-2)24-23(30-6)25-22-18(11-10-14-27(22)24)21-19(28-4)15-17(9-3)16-20(21)29-5/h10-11,14-16H,7-9,12-13H2,1-6H3.
What are the key properties of 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine?
8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 427.61 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 22024365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).