methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C20H24N6O4 — CID 154965014

IUPACmethyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](Cc2c(-c3cnc(NC(C)=O)[nH]3)nc3cc(C)ccn23)C1
InChIInChI=1S/C20H24N6O4/c1-12-4-5-26-16(9-14-11-25(6-7-30-14)20(28)29-3)18(24-17(26)8-12)15-10-21-19(23-15)22-13(2)27/h4-5,8,10,14H,6-7,9,11H2,1-3H3,(H2,21,22,23,27)/t14-/m0/s1
InChIKeyINOOLJZYXABLPS-AWEZNQCLSA-N
MW412.45 g/mol
LogP2.00
Rot. Bonds4

About methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 154965014) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
PubChem CID154965014
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Namemethyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](Cc2c(-c3cnc(NC(C)=O)[nH]3)nc3cc(C)ccn23)C1
InChIInChI=1S/C20H24N6O4/c1-12-4-5-26-16(9-14-11-25(6-7-30-14)20(28)29-3)18(24-17(26)8-12)15-10-21-19(23-15)22-13(2)27/h4-5,8,10,14H,6-7,9,11H2,1-3H3,(H2,21,22,23,27)/t14-/m0/s1
InChIKeyINOOLJZYXABLPS-AWEZNQCLSA-N
XLogP2.00
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-2-[[2-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162354661
methyl 2-[[2-[2,6-difluoro-4-(5-hydroxy-2-pyridinyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 163481632
methyl (2S)-2-[[2-[2,6-difluoro-4-(propan-2-ylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166774868
methyl (2S)-2-[[2-[2,6-difluoro-4-(2-methylphenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963316
1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid
CID 166769597
methyl (2S)-2-[[2-(4-benzamido-2,6-difluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965154
methyl (2S)-2-[[2-[2,6-difluoro-4-(4-methoxyimidazol-1-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965015
methyl 2-[[2-[2,6-difluoro-4-(1-methylpyrrol-2-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963274
methyl (2S)-2-[[2-(4-cyano-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965162
methyl (2S)-2-[[2-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 167370633
methyl 2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965303
methyl 2-[[2-(2,6-difluoro-4-methoxycarbonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 169277646

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 154965014) is methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCO[C@@H](Cc2c(-c3cnc(NC(C)=O)[nH]3)nc3cc(C)ccn23)C1.
What is the InChIKey of methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The InChIKey is INOOLJZYXABLPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-12-4-5-26-16(9-14-11-25(6-7-30-14)20(28)29-3)18(24-17(26)8-12)15-10-21-19(23-15)22-13(2)27/h4-5,8,10,14H,6-7,9,11H2,1-3H3,(H2,21,22,23,27)/t14-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 412.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(2-acetamido-1H-imidazol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 154965014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).