ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate

C22H21N3O2S — CID 162403938

IUPACethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccc(N(C)C)cn23)s1
InChIInChI=1S/C22H21N3O2S/c1-4-27-22(26)18-12-11-17(28-18)21-20(15-8-6-5-7-9-15)23-19-13-10-16(24(2)3)14-25(19)21/h5-14H,4H2,1-3H3
InChIKeyTVGCYLPPLRVMIA-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.97
Rot. Bonds5

About ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate

ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate (PubChem CID 162403938) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate
PubChem CID162403938
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Nameethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccc(N(C)C)cn23)s1
InChIInChI=1S/C22H21N3O2S/c1-4-27-22(26)18-12-11-17(28-18)21-20(15-8-6-5-7-9-15)23-19-13-10-16(24(2)3)14-25(19)21/h5-14H,4H2,1-3H3
InChIKeyTVGCYLPPLRVMIA-UHFFFAOYSA-N
XLogP4.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate (CID 162403938) is ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate is CCOC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccc(N(C)C)cn23)s1.
What is the InChIKey of ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate?
The InChIKey is TVGCYLPPLRVMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-4-27-22(26)18-12-11-17(28-18)21-20(15-8-6-5-7-9-15)23-19-13-10-16(24(2)3)14-25(19)21/h5-14H,4H2,1-3H3.
What are the key properties of ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate?
ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate has a molecular weight of 391.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate is sourced from PubChem (CID 162403938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).