tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate

C20H27N3O4 — CID 154964980

IUPACtert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate
SMILESCC(=O)c1nc2cc(C)ccn2c1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C20H27N3O4/c1-13-6-7-23-16(18(14(2)24)21-17(23)10-13)11-15-12-22(8-9-26-15)19(25)27-20(3,4)5/h6-7,10,15H,8-9,11-12H2,1-5H3/t15-/m0/s1
InChIKeyJFTJNHRWAFJWCQ-HNNXBMFYSA-N
MW373.45 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate

tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate (PubChem CID 154964980) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate
PubChem CID154964980
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nametert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate
SMILESCC(=O)c1nc2cc(C)ccn2c1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C20H27N3O4/c1-13-6-7-23-16(18(14(2)24)21-17(23)10-13)11-15-12-22(8-9-26-15)19(25)27-20(3,4)5/h6-7,10,15H,8-9,11-12H2,1-5H3/t15-/m0/s1
InChIKeyJFTJNHRWAFJWCQ-HNNXBMFYSA-N
XLogP3.02
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[[2-[4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 163478150
tert-butyl 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166775129
tert-butyl (2S)-2-[[7-methyl-2-[2,3,6-trifluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162374988
tert-butyl (2S)-2-[[2-[2,6-difluoro-4-(2-methylpropoxycarbonyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 165111045
tert-butyl (2S)-2-[[2-(4-butoxycarbonyl-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965374
tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 175437900
tert-butyl (2S)-2-[[2-[4-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 163208474
tert-butyl 2-[[2-[4-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 175437895
2-methylbutan-2-yl 2-[[7-methyl-2-[2-methyl-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 134387909
tert-butyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 175045357
(2S)-2-[[2-(1-acetylpiperidin-4-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166769661
2-[[2-[2,6-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175172795

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate (CID 154964980) is tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate is CC(=O)c1nc2cc(C)ccn2c1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate?
The InChIKey is JFTJNHRWAFJWCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13-6-7-23-16(18(14(2)24)21-17(23)10-13)11-15-12-22(8-9-26-15)19(25)27-20(3,4)5/h6-7,10,15H,8-9,11-12H2,1-5H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate?
tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2-acetyl-7-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 154964980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).