methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate

C20H18F3N3O3 — CID 156827636

IUPACmethyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1cc(F)c(-c2nc3cc(F)ccn3c2C[C@H]2CNCCO2)c(F)c1
InChIInChI=1S/C20H18F3N3O3/c1-28-20(27)11-6-14(22)18(15(23)7-11)19-16(9-13-10-24-3-5-29-13)26-4-2-12(21)8-17(26)25-19/h2,4,6-8,13,24H,3,5,9-10H2,1H3/t13-/m0/s1
InChIKeyLHSQCBVMVOHHSM-ZDUSSCGKSA-N
MW405.38 g/mol
LogP2.74
Rot. Bonds4

About methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate

methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate (PubChem CID 156827636) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
PubChem CID156827636
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Namemethyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1cc(F)c(-c2nc3cc(F)ccn3c2C[C@H]2CNCCO2)c(F)c1
InChIInChI=1S/C20H18F3N3O3/c1-28-20(27)11-6-14(22)18(15(23)7-11)19-16(9-13-10-24-3-5-29-13)26-4-2-12(21)8-17(26)25-19/h2,4,6-8,13,24H,3,5,9-10H2,1H3/t13-/m0/s1
InChIKeyLHSQCBVMVOHHSM-ZDUSSCGKSA-N
XLogP2.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-fluoro-5-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]ethanone
CID 177064297
methyl 2-[[2-(2,6-difluoro-4-methoxycarbonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 169277646
(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154964970
N-cyclopropyl-2,3,5-trifluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 162375023
1-[3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
CID 154965100
1-[3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazole-3-carboxylic acid
CID 166775025
(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
CID 162374967
methyl (2R)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]-1,4-oxazepane-4-carboxylate
CID 156827721
2-[[2-[2,6-difluoro-4-(methoxycarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175167830
2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154965270
3,5-difluoro-N-methyl-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 166714396
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

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The IUPAC name of methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate (CID 156827636) is methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate.
What is the SMILES notation for methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The canonical SMILES for methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate is COC(=O)c1cc(F)c(-c2nc3cc(F)ccn3c2C[C@H]2CNCCO2)c(F)c1.
What is the InChIKey of methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The InChIKey is LHSQCBVMVOHHSM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-28-20(27)11-6-14(22)18(15(23)7-11)19-16(9-13-10-24-3-5-29-13)26-4-2-12(21)8-17(26)25-19/h2,4,6-8,13,24H,3,5,9-10H2,1H3/t13-/m0/s1.
What are the key properties of methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate has a molecular weight of 405.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate is sourced from PubChem (CID 156827636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).