4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile

C26H24N4O4 — CID 137351135

IUPAC4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N
InChIInChI=1S/C26H24N4O4/c1-16-19(4-5-20-21(16)15-34-26(20)31)25-14-30(7-8-33-25)13-17-3-6-22(28-11-17)23-9-24(32-2)18(10-27)12-29-23/h3-6,9,11-12,25H,7-8,13-15H2,1-2H3/t25-/m0/s1
InChIKeyOBXIYDWZQSTMOT-VWLOTQADSA-N
MW456.50 g/mol
LogP3.58
Rot. Bonds5

About 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile

4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 137351135) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID137351135
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N
InChIInChI=1S/C26H24N4O4/c1-16-19(4-5-20-21(16)15-34-26(20)31)25-14-30(7-8-33-25)13-17-3-6-22(28-11-17)23-9-24(32-2)18(10-27)12-29-23/h3-6,9,11-12,25H,7-8,13-15H2,1-2H3/t25-/m0/s1
InChIKeyOBXIYDWZQSTMOT-VWLOTQADSA-N
XLogP3.58
TPSA97.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile (CID 137351135) is 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile is COc1cc(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)ncc1C#N.
What is the InChIKey of 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is OBXIYDWZQSTMOT-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-16-19(4-5-20-21(16)15-34-26(20)31)25-14-30(7-8-33-25)13-17-3-6-22(28-11-17)23-9-24(32-2)18(10-27)12-29-23/h3-6,9,11-12,25H,7-8,13-15H2,1-2H3/t25-/m0/s1.
What are the key properties of 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile?
4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 456.50 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 137351135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).