(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine

C20H21F2N3O3S — CID 154964970

IUPAC(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESCc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(S(C)(=O)=O)cc3F)nc2c1
InChIInChI=1S/C20H21F2N3O3S/c1-12-3-5-25-17(8-13-11-23-4-6-28-13)20(24-18(25)7-12)19-15(21)9-14(10-16(19)22)29(2,26)27/h3,5,7,9-10,13,23H,4,6,8,11H2,1-2H3/t13-/m0/s1
InChIKeyWRJDSJSIVMYPJE-ZDUSSCGKSA-N
MW421.47 g/mol
LogP2.52
Rot. Bonds4

About (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine

(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 154964970) has the molecular formula C20H21F2N3O3S and a molecular weight of 421.47 g/mol. Its IUPAC name is (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
PubChem CID154964970
Molecular FormulaC20H21F2N3O3S
Molecular Weight421.47 g/mol
Exact Mass421.13
IUPAC Name(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESCc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(S(C)(=O)=O)cc3F)nc2c1
InChIInChI=1S/C20H21F2N3O3S/c1-12-3-5-25-17(8-13-11-23-4-6-28-13)20(24-18(25)7-12)19-15(21)9-14(10-16(19)22)29(2,26)27/h3,5,7,9-10,13,23H,4,6,8,11H2,1-2H3/t13-/m0/s1
InChIKeyWRJDSJSIVMYPJE-ZDUSSCGKSA-N
XLogP2.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.52
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
(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
CID 162374967
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
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
2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154965270
methyl 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
CID 156827636
(2S)-2-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175437897
2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine
CID 177064329
N-[4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]acetamide
CID 156904792
1-[4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorophenyl]imidazolidin-2-one
CID 162354624
3,5-difluoro-N-methyl-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 166714396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 154964970) is (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine is Cc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(S(C)(=O)=O)cc3F)nc2c1.
What is the InChIKey of (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is WRJDSJSIVMYPJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21F2N3O3S/c1-12-3-5-25-17(8-13-11-23-4-6-28-13)20(24-18(25)7-12)19-15(21)9-14(10-16(19)22)29(2,26)27/h3,5,7,9-10,13,23H,4,6,8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
(2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 421.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,6-difluoro-4-methylsulfonylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 154964970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).