[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C19H19N3O5 — CID 17430026

IUPAC[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cn3ccc(C)cc3n2)c1C
InChIInChI=1S/C19H19N3O5/c1-10-5-6-22-8-13(21-15(22)7-10)18(24)27-9-14(23)17-11(2)16(12(3)20-17)19(25)26-4/h5-8,20H,9H2,1-4H3
InChIKeyLBRMLCGTSPWDFD-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.41
Rot. Bonds5

About [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 17430026) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID17430026
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cn3ccc(C)cc3n2)c1C
InChIInChI=1S/C19H19N3O5/c1-10-5-6-22-8-13(21-15(22)7-10)18(24)27-9-14(23)17-11(2)16(12(3)20-17)19(25)26-4/h5-8,20H,9H2,1-4H3
InChIKeyLBRMLCGTSPWDFD-UHFFFAOYSA-N
XLogP2.41
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 27560764
methyl 5-[2-(3,4-difluorobenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17396893
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40520204
thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 166262248
4-O-methyl 2-O-[2-(1-methylpyrrol-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 17396545
2-O-[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 42983050
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40520208
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 42897218
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40510204
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 27560755
[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932060
methyl 5-[2-(1,3-benzodioxole-5-carbonyloxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9115461

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 17430026) is [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cn3ccc(C)cc3n2)c1C.
What is the InChIKey of [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LBRMLCGTSPWDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-10-5-6-22-8-13(21-15(22)7-10)18(24)27-9-14(23)17-11(2)16(12(3)20-17)19(25)26-4/h5-8,20H,9H2,1-4H3.
What are the key properties of [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 17430026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).