methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate

C12H15N3O3 — CID 175899462

IUPACmethyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NCN2C[C@@H]1CCO1
InChIInChI=1S/C12H15N3O3/c1-17-12(16)9-2-3-10-11(14-9)13-7-15(10)6-8-4-5-18-8/h2-3,8H,4-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyYIJZTBJAMCGOSY-QMMMGPOBSA-N
MW249.27 g/mol
LogP0.85
Rot. Bonds3

About methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate

methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 175899462) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID175899462
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)NCN2C[C@@H]1CCO1
InChIInChI=1S/C12H15N3O3/c1-17-12(16)9-2-3-10-11(14-9)13-7-15(10)6-8-4-5-18-8/h2-3,8H,4-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyYIJZTBJAMCGOSY-QMMMGPOBSA-N
XLogP0.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-[(1S)-1-chloroethyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate
CID 175368073
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
methyl 3-(oxetan-2-ylmethyl)-2-(piperidin-4-ylmethyl)benzimidazole-5-carboxylate
CID 175442566
propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate
CID 175841888
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[(3S)-pyrrolidin-3-yl]methyl]benzimidazole-5-carboxylate
CID 166114178
ethane;methyl 2-(chloromethyl)-3-(oxetan-2-ylmethyl)-1,2-dihydrobenzimidazole-5-carboxylate
CID 162737392
propan-2-yl 2-(chloromethyl)-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate
CID 167021359
methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylate
CID 156856886
methyl 2-[[1-[6-[(4-chloro-2-fluorophenyl)methyl]pyridine-2-carbonyl]piperidin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate
CID 167388913
methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate
CID 176600197
methyl 2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129999
methyl 1-[(3,5-dichloro-2-pyridinyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate
CID 22485071

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate (CID 175899462) is methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)NCN2C[C@@H]1CCO1.
What is the InChIKey of methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is YIJZTBJAMCGOSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-17-12(16)9-2-3-10-11(14-9)13-7-15(10)6-8-4-5-18-8/h2-3,8H,4-7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate?
methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 175899462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).