5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide

C25H25N3O4 — CID 166632374

IUPAC5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc3[nH]ccc3c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12
InChIInChI=1S/C25H25N3O4/c1-26-24(30)22-21-17(11-28-9-7-25(12-28)13-31-14-25)19(29)4-5-20(21)32-23(22)16-2-3-18-15(10-16)6-8-27-18/h2-6,8,10,27,29H,7,9,11-14H2,1H3,(H,26,30)
InChIKeySHCHRPWMUVPTLX-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.87
Rot. Bonds4

About 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide

5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 166632374) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID166632374
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc3[nH]ccc3c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12
InChIInChI=1S/C25H25N3O4/c1-26-24(30)22-21-17(11-28-9-7-25(12-28)13-31-14-25)19(29)4-5-20(21)32-23(22)16-2-3-18-15(10-16)6-8-27-18/h2-6,8,10,27,29H,7,9,11-14H2,1H3,(H,26,30)
InChIKeySHCHRPWMUVPTLX-UHFFFAOYSA-N
XLogP3.87
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide (CID 166632374) is 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc3[nH]ccc3c2)oc2ccc(O)c(CN3CCC4(COC4)C3)c12.
What is the InChIKey of 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is SHCHRPWMUVPTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-26-24(30)22-21-17(11-28-9-7-25(12-28)13-31-14-25)19(29)4-5-20(21)32-23(22)16-2-3-18-15(10-16)6-8-27-18/h2-6,8,10,27,29H,7,9,11-14H2,1H3,(H,26,30).
What are the key properties of 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide?
5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(1H-indol-5-yl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 166632374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).