2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane

C59H65N11O11 — CID 159400953

About 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane

2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane (PubChem CID 159400953) has the molecular formula C59H65N11O11 and a molecular weight of 1104.23 g/mol. Its IUPAC name is 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane.

Molecular Properties

• Compound Name: 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane
• PubChem CID: 159400953
• Molecular Formula: C59H65N11O11
• Molecular Weight: 1104.23 g/mol
• Exact Mass: 1103.49
• IUPAC Name: 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane
• SMILES: C.C.C1CC2(C1)COC2.O=C(O)C(O)O.O=Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CCC56COC6)cc4c3n2)c2cc[nH]c2c1
• InChI: InChI=1S/C27H26N6O3.C22H17N5O3.C6H10O.C2H4O4.2CH4/c1-2-19(18-4-6-28-21(18)3-1)24-30-22-20-12-17(14-33-7-5-27(33)15-35-16-27)13-29-26(20)36-23(22)25(31-24)32-8-10-34-11-9-32;28-12-13-10-16-18-19(30-22(16)24-11-13)21(27-6-8-29-9-7-27)26-20(25-18)15-2-1-3-17-14(15)4-5-23-17;1-2-6(3-1)4-7-5-6;3-1(4)2(5)6;;/h1-4,6,12-13,28H,5,7-11,14-16H2;1-5,10-12,23H,6-9H2;1-5H2;1,3-4H,(H,5,6);2*1H4
• InChIKey: LNIHKOXAGSBLSB-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 276.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1104.23
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane?

The IUPAC name of 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane (CID 159400953) is 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane.

What is the SMILES notation for 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane?

The canonical SMILES for 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane is C.C.C1CC2(C1)COC2.O=C(O)C(O)O.O=Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CCC56COC6)cc4c3n2)c2cc[nH]c2c1.

What is the InChIKey of 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane?

The InChIKey is LNIHKOXAGSBLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3.C22H17N5O3.C6H10O.C2H4O4.2CH4/c1-2-19(18-4-6-28-21(18)3-1)24-30-22-20-12-17(14-33-7-5-27(33)15-35-16-27)13-29-26(20)36-23(22)25(31-24)32-8-10-34-11-9-32;28-12-13-10-16-18-19(30-22(16)24-11-13)21(27-6-8-29-9-7-27)26-20(25-18)15-2-1-3-17-14(15)4-5-23-17;1-2-6(3-1)4-7-5-6;3-1(4)2(5)6;;/h1-4,6,12-13,28H,5,7-11,14-16H2;1-5,10-12,23H,6-9H2;1-5H2;1,3-4H,(H,5,6);2*1H4.

What are the key properties of 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane?

2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane has a molecular weight of 1104.23 g/mol, XLogP of 8.14, 8 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dihydroxyacetic acid;4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;methane;2-oxaspiro[3.3]heptane is sourced from PubChem (CID 159400953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).