15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C23H24N6O3 — CID 142411981

IUPAC15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21
InChIInChI=1S/C23H24N6O3/c30-22-17-10-16(29-11-23(12-29)13-31-14-23)6-7-19(17)32-9-2-1-8-28-15-24-27-21(28)18-4-3-5-20(25-18)26-22/h3-7,10,15H,1-2,8-9,11-14H2,(H,25,26,30)
InChIKeyPRUJNFMDYCFTPX-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.60
Rot. Bonds1

About 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 142411981) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID142411981
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21
InChIInChI=1S/C23H24N6O3/c30-22-17-10-16(29-11-23(12-29)13-31-14-23)6-7-19(17)32-9-2-1-8-28-15-24-27-21(28)18-4-3-5-20(25-18)26-22/h3-7,10,15H,1-2,8-9,11-14H2,(H,25,26,30)
InChIKeyPRUJNFMDYCFTPX-UHFFFAOYSA-N
XLogP2.60
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 142411981) is 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21.
What is the InChIKey of 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is PRUJNFMDYCFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-22-17-10-16(29-11-23(12-29)13-31-14-23)6-7-19(17)32-9-2-1-8-28-15-24-27-21(28)18-4-3-5-20(25-18)26-22/h3-7,10,15H,1-2,8-9,11-14H2,(H,25,26,30).
What are the key properties of 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 432.48 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 142411981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).