N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide

C26H24N2O4 — CID 159822125

IUPACN-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc2c(-c3cccc4c3ccn4C)coc12
InChIInChI=1S/C26H24N2O4/c1-27-26(30)19-9-14(24(29)10-17-20-11-31-12-21(17)20)8-18-22(13-32-25(18)19)15-4-3-5-23-16(15)6-7-28(23)2/h3-9,13,17,20-21H,10-12H2,1-2H3,(H,27,30)/t17?,20-,21+
InChIKeyNMJHAKHLCUFULI-PRJVBOEPSA-N
MW428.49 g/mol
LogP4.42
Rot. Bonds5

About N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide

N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide (PubChem CID 159822125) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide
PubChem CID159822125
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc2c(-c3cccc4c3ccn4C)coc12
InChIInChI=1S/C26H24N2O4/c1-27-26(30)19-9-14(24(29)10-17-20-11-31-12-21(17)20)8-18-22(13-32-25(18)19)15-4-3-5-23-16(15)6-7-28(23)2/h3-9,13,17,20-21H,10-12H2,1-2H3,(H,27,30)/t17?,20-,21+
InChIKeyNMJHAKHLCUFULI-PRJVBOEPSA-N
XLogP4.42
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 44582838
(3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 156022518
3-(benzofuran-3-yl)-4-(6-hydroxy-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 16741476
3-(benzofuran-3-yl)-4-(5-cyclopropyl-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 16741728
3-(5-Cyclopropylethynyl-1-methyl-1H-indol-3-yl)-4-(5-fluorobenzofuran-3-yl)pyrrole-2,5-dione
CID 24991913
3-Benzofuran-3-yl-4-(7-hydroxymethyl-1-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 44582836
(3S)-5-N-cyclopropyl-3-(1H-indol-4-yl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 138533733
(3S)-3-(1H-indol-4-yl)-7-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 142553683
3-[3-(4-Benzofuran-3-yl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1-methyl-1H-indol-7-yl]propionic Acid Ethyl Ester
CID 44582856
3-(1-Benzofuran-3-yl)-4-[1-methyl-7-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]pyrrole-2,5-dione
CID 71733640
3-(1-Benzofuran-3-yl)-4-[1,7-bis(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
CID 71733641

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide?
The IUPAC name of N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide (CID 159822125) is N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide is CNC(=O)c1cc(C(=O)CC2[C@H]3COC[C@@H]23)cc2c(-c3cccc4c3ccn4C)coc12.
What is the InChIKey of N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide?
The InChIKey is NMJHAKHLCUFULI-PRJVBOEPSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-27-26(30)19-9-14(24(29)10-17-20-11-31-12-21(17)20)8-18-22(13-32-25(18)19)15-4-3-5-23-16(15)6-7-28(23)2/h3-9,13,17,20-21H,10-12H2,1-2H3,(H,27,30)/t17?,20-,21+.
What are the key properties of N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide?
N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylindol-4-yl)-5-[2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 159822125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).