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

C24H22N4O4S — CID 137350842

IUPAC4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2ncc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)s2)ncc1C#N
InChIInChI=1S/C24H22N4O4S/c1-14-17(3-4-18-19(14)13-32-24(18)29)22-12-28(5-6-31-22)11-16-10-27-23(33-16)20-7-21(30-2)15(8-25)9-26-20/h3-4,7,9-10,22H,5-6,11-13H2,1-2H3/t22-/m0/s1
InChIKeyVVTZVYQPSGGOSA-QFIPXVFZSA-N
MW462.53 g/mol
LogP3.64
Rot. Bonds5

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

4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]pyridine-3-carbonitrile (PubChem CID 137350842) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 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]-1,3-thiazol-2-yl]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]-1,3-thiazol-2-yl]pyridine-3-carbonitrile
PubChem CID137350842
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2ncc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)s2)ncc1C#N
InChIInChI=1S/C24H22N4O4S/c1-14-17(3-4-18-19(14)13-32-24(18)29)22-12-28(5-6-31-22)11-16-10-27-23(33-16)20-7-21(30-2)15(8-25)9-26-20/h3-4,7,9-10,22H,5-6,11-13H2,1-2H3/t22-/m0/s1
InChIKeyVVTZVYQPSGGOSA-QFIPXVFZSA-N
XLogP3.64
TPSA97.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

US10723723, Example 128
CID 139388176
US10723723, Example 130
CID 137351025
US10723723, Example 129
CID 139388140
4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile
CID 135390616
6-[5-[[(3R,4R)-4-hydroxy-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methylpyridine-3-carbonitrile
CID 137350835
6-[5-[[[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-2-pyridinyl]-4-methoxypyridine-3-carbonitrile
CID 137351027
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
4-methyl-6-[5-[[(3S,5R)-3-methyl-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridine-3-carbonitrile
CID 137351504
6-[5-[[[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-4-methoxypyridine-3-carbonitrile
CID 139388141
6-[5-[[[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-4-methylpyridine-3-carbonitrile
CID 139388177
Methyl 7-[[4-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate
CID 142503606
Methyl 7-[[4-(2-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate
CID 142503625

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]-1,3-thiazol-2-yl]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]-1,3-thiazol-2-yl]pyridine-3-carbonitrile (CID 137350842) is 4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]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]-1,3-thiazol-2-yl]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]-1,3-thiazol-2-yl]pyridine-3-carbonitrile is COc1cc(-c2ncc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)s2)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]-1,3-thiazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is VVTZVYQPSGGOSA-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-14-17(3-4-18-19(14)13-32-24(18)29)22-12-28(5-6-31-22)11-16-10-27-23(33-16)20-7-21(30-2)15(8-25)9-26-20/h3-4,7,9-10,22H,5-6,11-13H2,1-2H3/t22-/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]-1,3-thiazol-2-yl]pyridine-3-carbonitrile?
4-methoxy-6-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 462.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 9 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]-1,3-thiazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 137350842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).