(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride

C19H18BrClF3N3O — CID 162374967

IUPAC(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
SMILESCc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(Br)c(F)c3F)nc2c1.Cl
InChIInChI=1S/C19H17BrF3N3O.ClH/c1-10-2-4-26-14(7-11-9-24-3-5-27-11)19(25-15(26)6-10)16-13(21)8-12(20)17(22)18(16)23;/h2,4,6,8,11,24H,3,5,7,9H2,1H3;1H/t11-;/m0./s1
InChIKeyANOLBJOAQGDETJ-MERQFXBCSA-N
MW476.72 g/mol
LogP4.44
Rot. Bonds3

About (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride

(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride (PubChem CID 162374967) has the molecular formula C19H18BrClF3N3O and a molecular weight of 476.72 g/mol. Its IUPAC name is (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
PubChem CID162374967
Molecular FormulaC19H18BrClF3N3O
Molecular Weight476.72 g/mol
Exact Mass475.03
IUPAC Name(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
SMILESCc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(Br)c(F)c3F)nc2c1.Cl
InChIInChI=1S/C19H17BrF3N3O.ClH/c1-10-2-4-26-14(7-11-9-24-3-5-27-11)19(25-15(26)6-10)16-13(21)8-12(20)17(22)18(16)23;/h2,4,6,8,11,24H,3,5,7,9H2,1H3;1H/t11-;/m0./s1
InChIKeyANOLBJOAQGDETJ-MERQFXBCSA-N
XLogP4.44
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.72
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(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
2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154965270
1-[3-fluoro-5-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]ethanone
CID 177064297
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
2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine
CID 177064329
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-[[7-methyl-2-[2,3,6-trifluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 166709166
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
(2S)-2-[[2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175169250

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride (CID 162374967) is (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride is Cc1ccn2c(C[C@H]3CNCCO3)c(-c3c(F)cc(Br)c(F)c3F)nc2c1.Cl.
What is the InChIKey of (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride?
The InChIKey is ANOLBJOAQGDETJ-MERQFXBCSA-N. The full InChI is InChI=1S/C19H17BrF3N3O.ClH/c1-10-2-4-26-14(7-11-9-24-3-5-27-11)19(25-15(26)6-10)16-13(21)8-12(20)17(22)18(16)23;/h2,4,6,8,11,24H,3,5,7,9H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride?
(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride has a molecular weight of 476.72 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 162374967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).