ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

C16H25N3O4 — CID 59785830

IUPACethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CCC(CNC(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H25N3O4/c1-5-22-14(20)12-10-19-9-11(6-7-13(19)18-12)8-17-15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,21)
InChIKeyVSULBQGTLONSKC-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.15
Rot. Bonds4

About ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 59785830) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID59785830
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nameethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CCC(CNC(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H25N3O4/c1-5-22-14(20)12-10-19-9-11(6-7-13(19)18-12)8-17-15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,21)
InChIKeyVSULBQGTLONSKC-UHFFFAOYSA-N
XLogP2.15
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-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

tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate
CID 19965332
ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 138646151
tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164908486
ethyl 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutylidene]acetate
CID 121208184
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164945307
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-[[1-(4-chloro-5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 71634708
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate
CID 58464892
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (CID 59785830) is ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(n1)CCC(CNC(=O)OC(C)(C)C)C2.
What is the InChIKey of ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is VSULBQGTLONSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-5-22-14(20)12-10-19-9-11(6-7-13(19)18-12)8-17-15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,21).
What are the key properties of ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 59785830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).