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

C25H23N3O4 — CID 175749970

IUPAC7-N-methyl-3-(1-methylindol-4-yl)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc2c(-c3cccc4c3ccn4C)c(C3[C@H]4COC[C@@H]34)oc12
InChIInChI=1S/C25H23N3O4/c1-27-25(30)16-9-12(24(26)29)8-15-20(14-4-3-5-19-13(14)6-7-28(19)2)23(32-22(15)16)21-17-10-31-11-18(17)21/h3-9,17-18,21H,10-11H2,1-2H3,(H2,26,29)(H,27,30)/t17-,18+,21?
InChIKeyDRVORBJIWCGFKS-HTZLVSCSSA-N
MW429.48 g/mol
LogP3.41
Rot. Bonds4

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

7-N-methyl-3-(1-methylindol-4-yl)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide (PubChem CID 175749970) 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)-2-[(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)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide
PubChem CID175749970
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name7-N-methyl-3-(1-methylindol-4-yl)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc2c(-c3cccc4c3ccn4C)c(C3[C@H]4COC[C@@H]34)oc12
InChIInChI=1S/C25H23N3O4/c1-27-25(30)16-9-12(24(26)29)8-15-20(14-4-3-5-19-13(14)6-7-28(19)2)23(32-22(15)16)21-17-10-31-11-18(17)21/h3-9,17-18,21H,10-11H2,1-2H3,(H2,26,29)(H,27,30)/t17-,18+,21?
InChIKeyDRVORBJIWCGFKS-HTZLVSCSSA-N
XLogP3.41
TPSA99.49 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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-3-(1-methylindol-4-yl)-2-[(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)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide (CID 175749970) is 7-N-methyl-3-(1-methylindol-4-yl)-2-[(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)-2-[(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)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(N)=O)cc2c(-c3cccc4c3ccn4C)c(C3[C@H]4COC[C@@H]34)oc12.
What is the InChIKey of 7-N-methyl-3-(1-methylindol-4-yl)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide?
The InChIKey is DRVORBJIWCGFKS-HTZLVSCSSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-27-25(30)16-9-12(24(26)29)8-15-20(14-4-3-5-19-13(14)6-7-28(19)2)23(32-22(15)16)21-17-10-31-11-18(17)21/h3-9,17-18,21H,10-11H2,1-2H3,(H2,26,29)(H,27,30)/t17-,18+,21?.
What are the key properties of 7-N-methyl-3-(1-methylindol-4-yl)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide?
7-N-methyl-3-(1-methylindol-4-yl)-2-[(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 3.41, 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)-2-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 175749970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).