methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate

C25H23N3O4 — CID 58459381

IUPACmethyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc([C@H](C)NC(=O)OCc3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C25H23N3O4/c1-17(26-25(30)32-16-18-10-5-3-6-11-18)22-23(19-12-7-4-8-13-19)28-20(24(29)31-2)14-9-15-21(28)27-22/h3-15,17H,16H2,1-2H3,(H,26,30)/t17-/m0/s1
InChIKeyGEUCKFFBJRGYEY-KRWDZBQOSA-N
MW429.48 g/mol
LogP4.78
Rot. Bonds6

About methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 58459381) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID58459381
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Namemethyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc([C@H](C)NC(=O)OCc3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C25H23N3O4/c1-17(26-25(30)32-16-18-10-5-3-6-11-18)22-23(19-12-7-4-8-13-19)28-20(24(29)31-2)14-9-15-21(28)27-22/h3-15,17H,16H2,1-2H3,(H,26,30)/t17-/m0/s1
InChIKeyGEUCKFFBJRGYEY-KRWDZBQOSA-N
XLogP4.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 67432387
benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate
CID 67433032
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate
CID 58796844
benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
CID 67432906
methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 67449555
benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
CID 10804659
methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 86336679
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 58459381) is methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc([C@H](C)NC(=O)OCc3ccccc3)c(-c3ccccc3)n12.
What is the InChIKey of methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is GEUCKFFBJRGYEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17(26-25(30)32-16-18-10-5-3-6-11-18)22-23(19-12-7-4-8-13-19)28-20(24(29)31-2)14-9-15-21(28)27-22/h3-15,17H,16H2,1-2H3,(H,26,30)/t17-/m0/s1.
What are the key properties of methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 429.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 58459381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).