methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C24H24F4N4O5 — CID 156827647

IUPACmethyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCNC(=O)c1cc(F)c(-c2nc3cc(C(F)F)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)c(OC)c1F
InChIInChI=1S/C24H24F4N4O5/c1-29-23(33)14-10-15(25)18(21(35-2)19(14)26)20-16(9-13-11-31(6-7-37-13)24(34)36-3)32-5-4-12(22(27)28)8-17(32)30-20/h4-5,8,10,13,22H,6-7,9,11H2,1-3H3,(H,29,33)/t13-/m0/s1
InChIKeyQLVHIZMVOCJCRC-ZDUSSCGKSA-N
MW524.47 g/mol
LogP3.60
Rot. Bonds6

About methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 156827647) has the molecular formula C24H24F4N4O5 and a molecular weight of 524.47 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
PubChem CID156827647
Molecular FormulaC24H24F4N4O5
Molecular Weight524.47 g/mol
Exact Mass524.17
IUPAC Namemethyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCNC(=O)c1cc(F)c(-c2nc3cc(C(F)F)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)c(OC)c1F
InChIInChI=1S/C24H24F4N4O5/c1-29-23(33)14-10-15(25)18(21(35-2)19(14)26)20-16(9-13-11-31(6-7-37-13)24(34)36-3)32-5-4-12(22(27)28)8-17(32)30-20/h4-5,8,10,13,22H,6-7,9,11H2,1-3H3,(H,29,33)/t13-/m0/s1
InChIKeyQLVHIZMVOCJCRC-ZDUSSCGKSA-N
XLogP3.60
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

methyl (2S)-2-[[7-(difluoromethyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827690
methyl (2S)-2-[[7-chloro-2-[2,3,6-trifluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 162375002
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
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
methyl (2S)-2-[[7-chloro-2-[2,6-difluoro-4-[(R)-hydroxy(methylamino)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 134185052
(2S)-2-[[7-methyl-2-[2,3,6-trifluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166709166
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
N-[4-[7-(difluoromethyl)-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]acetamide
CID 166775046
methyl 2-[[2-[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166774914
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 (2S)-2-[[2-[2,6-difluoro-4-(2-methylphenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154963316
methyl 2-[[7-(fluoromethyl)-2-[2-fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 156827753

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 156827647) is methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is CNC(=O)c1cc(F)c(-c2nc3cc(C(F)F)ccn3c2C[C@H]2CN(C(=O)OC)CCO2)c(OC)c1F.
What is the InChIKey of methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The InChIKey is QLVHIZMVOCJCRC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H24F4N4O5/c1-29-23(33)14-10-15(25)18(21(35-2)19(14)26)20-16(9-13-11-31(6-7-37-13)24(34)36-3)32-5-4-12(22(27)28)8-17(32)30-20/h4-5,8,10,13,22H,6-7,9,11H2,1-3H3,(H,29,33)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 524.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-[3,6-difluoro-2-methoxy-4-(methylcarbamoyl)phenyl]-7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 156827647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).