ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate

C19H21N3O4 — CID 149302059

IUPACethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cccn3C(=O)OC(C)(C)C)cn12
InChIInChI=1S/C19H21N3O4/c1-5-25-17(23)15-11-20-16-9-8-13(12-22(15)16)14-7-6-10-21(14)18(24)26-19(2,3)4/h6-12H,5H2,1-4H3
InChIKeyXWYNFWOGTRPAOJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.76
Rot. Bonds3

About ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 149302059) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID149302059
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Nameethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cccn3C(=O)OC(C)(C)C)cn12
InChIInChI=1S/C19H21N3O4/c1-5-25-17(23)15-11-20-16-9-8-13(12-22(15)16)14-7-6-10-21(14)18(24)26-19(2,3)4/h6-12H,5H2,1-4H3
InChIKeyXWYNFWOGTRPAOJ-UHFFFAOYSA-N
XLogP3.76
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579
tert-butyl 2-[2-amino-3-[(1S,2S)-2-fluorocyclopropanecarbonyl]imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylate
CID 162759363
ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 170316332
6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 146160536
ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
CID 166563440
tert-butyl 2-(3-aminophenyl)pyrrole-1-carboxylate
CID 22461192
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 90090238
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
tert-butyl 2-[3-amino-5-(trifluoromethyl)phenyl]pyrrole-1-carboxylate
CID 58902477

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 149302059) is ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3cccn3C(=O)OC(C)(C)C)cn12.
What is the InChIKey of ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is XWYNFWOGTRPAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-5-25-17(23)15-11-20-16-9-8-13(12-22(15)16)14-7-6-10-21(14)18(24)26-19(2,3)4/h6-12H,5H2,1-4H3.
What are the key properties of ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 149302059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).