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

C25H23N3O4 — CID 138533712

IUPAC7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc2c(-c3cccc4c3ccn4C)coc12
InChIInChI=1S/C25H23N3O4/c1-26-25(30)17-9-13(24(29)27-22-19-10-31-11-20(19)22)8-16-18(12-32-23(16)17)14-4-3-5-21-15(14)6-7-28(21)2/h3-9,12,19-20,22H,10-11H2,1-2H3,(H,26,30)(H,27,29)/t19-,20+,22?
InChIKeyHXGGTFGMMVZRHA-RLAPIPATSA-N
MW429.48 g/mol
LogP3.33
Rot. Bonds4

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

7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide (PubChem CID 138533712) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide
PubChem CID138533712
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc2c(-c3cccc4c3ccn4C)coc12
InChIInChI=1S/C25H23N3O4/c1-26-25(30)17-9-13(24(29)27-22-19-10-31-11-20(19)22)8-16-18(12-32-23(16)17)14-4-3-5-21-15(14)6-7-28(21)2/h3-9,12,19-20,22H,10-11H2,1-2H3,(H,26,30)(H,27,29)/t19-,20+,22?
InChIKeyHXGGTFGMMVZRHA-RLAPIPATSA-N
XLogP3.33
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
7-N-methyl-3-(1-methylindol-4-yl)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide
CID 175749970
7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155099727
3-[1-(2-hydroxyethyl)indol-4-yl]-7-N-methyl-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 138533556
3-(3-cyanophenyl)-7-N-methyl-5-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119656
(3S)-2-(fluoromethyl)-7-N-methyl-5-N-(3-oxabicyclo[3.1.0]hexan-6-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 146320595
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
CID 118788686
2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
CID 131997114
1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide
CID 112530853
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
6-[(R)-hydroxy-(3-methylphenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131997410
6-[(R)-methoxy(phenyl)methyl]-2-N-methyl-4-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 131996900

Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide (CID 138533712) is 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(=O)NC2[C@H]3COC[C@@H]23)cc2c(-c3cccc4c3ccn4C)coc12.
What is the InChIKey of 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide?
The InChIKey is HXGGTFGMMVZRHA-RLAPIPATSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-26-25(30)17-9-13(24(29)27-22-19-10-31-11-20(19)22)8-16-18(12-32-23(16)17)14-4-3-5-21-15(14)6-7-28(21)2/h3-9,12,19-20,22H,10-11H2,1-2H3,(H,26,30)(H,27,29)/t19-,20+,22?.
What are the key properties of 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide?
7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 138533712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).