ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate

C21H23N3O4 — CID 42881647

IUPACethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1c(-c2ccc(OC)cc2)nc2ccc(C)cn12
InChIInChI=1S/C21H23N3O4/c1-4-28-19(26)12-11-18(25)23-21-20(15-6-8-16(27-3)9-7-15)22-17-10-5-14(2)13-24(17)21/h5-10,13H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyPDUKFROKVIKLPP-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.60
Rot. Bonds7

About ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate

ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate (PubChem CID 42881647) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate
PubChem CID42881647
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Nameethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1c(-c2ccc(OC)cc2)nc2ccc(C)cn12
InChIInChI=1S/C21H23N3O4/c1-4-28-19(26)12-11-18(25)23-21-20(15-6-8-16(27-3)9-7-15)22-17-10-5-14(2)13-24(17)21/h5-10,13H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyPDUKFROKVIKLPP-UHFFFAOYSA-N
XLogP3.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

2-methoxy-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42881672
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
ethyl 2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 808620
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42693919
2,4-dichloro-N-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881641
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(2-propoxyphenoxy)acetamide
CID 16559413
N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(4-nitrophenoxy)acetamide
CID 18225194
ethyl 2-[[2-[4-(2,5-dichlorophenyl)sulfonyloxyphenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 42742915
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42694061
4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694129

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate (CID 42881647) is ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1c(-c2ccc(OC)cc2)nc2ccc(C)cn12.
What is the InChIKey of ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate?
The InChIKey is PDUKFROKVIKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-28-19(26)12-11-18(25)23-21-20(15-6-8-16(27-3)9-7-15)22-17-10-5-14(2)13-24(17)21/h5-10,13H,4,11-12H2,1-3H3,(H,23,25).
What are the key properties of ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate?
ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate has a molecular weight of 381.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 42881647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).