methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate

C19H25N3O5 — CID 155437428

IUPACmethyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOc1cc2nc(C3CN(C(=O)OC(C)(C)C)C3)cn2cc1C(=O)OC
InChIInChI=1S/C19H25N3O5/c1-6-26-15-7-16-20-14(11-21(16)10-13(15)17(23)25-5)12-8-22(9-12)18(24)27-19(2,3)4/h7,10-12H,6,8-9H2,1-5H3
InChIKeyJAUUACFFOTXLHA-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.85
Rot. Bonds4

About methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155437428) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155437428
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Namemethyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOc1cc2nc(C3CN(C(=O)OC(C)(C)C)C3)cn2cc1C(=O)OC
InChIInChI=1S/C19H25N3O5/c1-6-26-15-7-16-20-14(11-21(16)10-13(15)17(23)25-5)12-8-22(9-12)18(24)27-19(2,3)4/h7,10-12H,6,8-9H2,1-5H3
InChIKeyJAUUACFFOTXLHA-UHFFFAOYSA-N
XLogP2.85
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(4-fluoro-3-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 176576432
tert-butyl 3-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)piperidine-1-carboxylate
CID 130407265
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl 3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]azetidine-1-carboxylate
CID 53493293
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 175026078
tert-butyl 3-[(3,5-dichlorophenoxy)methyl]azetidine-1-carboxylate
CID 139271451
2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;hydrochloride
CID 154655226
tert-butyl 3-(5-bromo-2-pyridinyl)azetidine-1-carboxylate
CID 140882194
tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate
CID 140928431
tert-butyl 3-(4-ethoxy-3-methylphenyl)pyrrolidine-1-carboxylate
CID 169498705
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,2-oxazole-3-carboxylate
CID 168510021
2-O-tert-butyl 5-O,6-O-dimethyl 1,3-dihydroisoindole-2,5,6-tricarboxylate
CID 154730420

Frequently Asked Questions

What is the IUPAC name of methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate (CID 155437428) is methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate is CCOc1cc2nc(C3CN(C(=O)OC(C)(C)C)C3)cn2cc1C(=O)OC.
What is the InChIKey of methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is JAUUACFFOTXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-6-26-15-7-16-20-14(11-21(16)10-13(15)17(23)25-5)12-8-22(9-12)18(24)27-19(2,3)4/h7,10-12H,6,8-9H2,1-5H3.
What are the key properties of methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-ethoxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155437428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).