4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one

C23H24N4O3 — CID 137351172

IUPAC4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
SMILESCc1cn(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)cn1
InChIInChI=1S/C23H24N4O3/c1-15-10-27(14-25-15)22-6-3-17(9-24-22)11-26-7-8-29-21(12-26)18-4-5-19-20(16(18)2)13-30-23(19)28/h3-6,9-10,14,21H,7-8,11-13H2,1-2H3/t21-/m0/s1
InChIKeyUOEXAWOCSULMST-NRFANRHFSA-N
MW404.47 g/mol
LogP3.13
Rot. Bonds4

About 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one

4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one (PubChem CID 137351172) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
PubChem CID137351172
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
SMILESCc1cn(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)cn1
InChIInChI=1S/C23H24N4O3/c1-15-10-27(14-25-15)22-6-3-17(9-24-22)11-26-7-8-29-21(12-26)18-4-5-19-20(16(18)2)13-30-23(19)28/h3-6,9-10,14,21H,7-8,11-13H2,1-2H3/t21-/m0/s1
InChIKeyUOEXAWOCSULMST-NRFANRHFSA-N
XLogP3.13
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one (CID 137351172) is 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one is Cc1cn(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)cn1.
What is the InChIKey of 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one?
The InChIKey is UOEXAWOCSULMST-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-10-27(14-25-15)22-6-3-17(9-24-22)11-26-7-8-29-21(12-26)18-4-5-19-20(16(18)2)13-30-23(19)28/h3-6,9-10,14,21H,7-8,11-13H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one?
4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one has a molecular weight of 404.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2R)-4-[[6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 137351172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).