[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C23H28N4O3 — CID 29022785

IUPAC[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CN(C)C[C@@H](O)c3ccccc3)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C23H28N4O3/c1-17-7-6-10-27-19(15-25(2)16-20(28)18-8-4-3-5-9-18)21(24-22(17)27)23(29)26-11-13-30-14-12-26/h3-10,20,28H,11-16H2,1-2H3/t20-/m1/s1
InChIKeyBZFMGSJOYUBNKT-HXUWFJFHSA-N
MW408.50 g/mol
LogP2.28
Rot. Bonds6

About [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 29022785) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID29022785
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cccn2c(CN(C)C[C@@H](O)c3ccccc3)c(C(=O)N3CCOCC3)nc12
InChIInChI=1S/C23H28N4O3/c1-17-7-6-10-27-19(15-25(2)16-20(28)18-8-4-3-5-9-18)21(24-22(17)27)23(29)26-11-13-30-14-12-26/h3-10,20,28H,11-16H2,1-2H3/t20-/m1/s1
InChIKeyBZFMGSJOYUBNKT-HXUWFJFHSA-N
XLogP2.28
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[8-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 126461057
[8-methyl-3-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 42290003
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 95555324
[3-[[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 95555325
[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 45239495
[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 45209587
3-[[2-hydroxyethyl(methyl)amino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56918888
[3-[(3-hydroxyazetidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863813
3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95555697
3-[[(1-amino-1-oxopropan-2-yl)-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56876006
[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 42196675

Frequently Asked Questions

What is the IUPAC name of [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 29022785) is [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is Cc1cccn2c(CN(C)C[C@@H](O)c3ccccc3)c(C(=O)N3CCOCC3)nc12.
What is the InChIKey of [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BZFMGSJOYUBNKT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-7-6-10-27-19(15-25(2)16-20(28)18-8-4-3-5-9-18)21(24-22(17)27)23(29)26-11-13-30-14-12-26/h3-10,20,28H,11-16H2,1-2H3/t20-/m1/s1.
What are the key properties of [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 408.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 29022785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).