methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate

C19H21N3O2S — CID 24754918

IUPACmethyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate
SMILESCOC(=O)CCSc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1
InChIInChI=1S/C19H21N3O2S/c1-21(2)15-6-4-14(5-7-15)17-13-22-12-16(8-9-18(22)20-17)25-11-10-19(23)24-3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyRWXGGIYJYAMLQN-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.72
Rot. Bonds6

About methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate

methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate (PubChem CID 24754918) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate
PubChem CID24754918
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Namemethyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate
SMILESCOC(=O)CCSc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1
InChIInChI=1S/C19H21N3O2S/c1-21(2)15-6-4-14(5-7-15)17-13-22-12-16(8-9-18(22)20-17)25-11-10-19(23)24-3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyRWXGGIYJYAMLQN-UHFFFAOYSA-N
XLogP3.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate?
The IUPAC name of methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate (CID 24754918) is methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate.
What is the SMILES notation for methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate?
The canonical SMILES for methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate is COC(=O)CCSc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.
What is the InChIKey of methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate?
The InChIKey is RWXGGIYJYAMLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-21(2)15-6-4-14(5-7-15)17-13-22-12-16(8-9-18(22)20-17)25-11-10-19(23)24-3/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate?
methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate has a molecular weight of 355.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylpropanoate is sourced from PubChem (CID 24754918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).