4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate

C60H52N24O10 — CID 159492667

About 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate

4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate (PubChem CID 159492667) has the molecular formula C60H52N24O10 and a molecular weight of 1269.23 g/mol. Its IUPAC name is 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate.

Molecular Properties

• Compound Name: 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate
• PubChem CID: 159492667
• Molecular Formula: C60H52N24O10
• Molecular Weight: 1269.23 g/mol
• Exact Mass: 1268.43
• IUPAC Name: 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate
• SMILES: CC(C(=O)CCC1(O)COC1)(c1cccnc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C(=O)O)(c1cccnc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.COC(=O)C(C)(c1cccnc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21
• InChI: InChI=1S/C23H22N8O4.C19H16N8O3.C18H14N8O3/c1-22(14-4-2-8-25-10-14,17(32)6-7-23(33)12-34-13-23)31-20-15(11-26-31)19-27-18(16-5-3-9-35-16)29-30(19)21(24)28-20;1-19(17(28)29-2,11-5-3-7-21-9-11)27-16-12(10-22-27)15-23-14(13-6-4-8-30-13)25-26(15)18(20)24-16;1-18(16(27)28,10-4-2-6-20-8-10)26-15-11(9-21-26)14-22-13(12-5-3-7-29-12)24-25(14)17(19)23-15/h2-5,8-11,33H,6-7,12-13H2,1H3,(H2,24,28);3-10H,1-2H3,(H2,20,24);2-9H,1H3,(H2,19,23)(H,27,28)
• InChIKey: LYJTYIGNEPIOAU-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 448.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1269.23
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate?

The IUPAC name of 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate (CID 159492667) is 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate.

What is the SMILES notation for 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate?

The canonical SMILES for 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate is CC(C(=O)CCC1(O)COC1)(c1cccnc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C(=O)O)(c1cccnc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.COC(=O)C(C)(c1cccnc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.

What is the InChIKey of 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate?

The InChIKey is LYJTYIGNEPIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O4.C19H16N8O3.C18H14N8O3/c1-22(14-4-2-8-25-10-14,17(32)6-7-23(33)12-34-13-23)31-20-15(11-26-31)19-27-18(16-5-3-9-35-16)29-30(19)21(24)28-20;1-19(17(28)29-2,11-5-3-7-21-9-11)27-16-12(10-22-27)15-23-14(13-6-4-8-30-13)25-26(15)18(20)24-16;1-18(16(27)28,10-4-2-6-20-8-10)26-15-11(9-21-26)14-22-13(12-5-3-7-29-12)24-25(14)17(19)23-15/h2-5,8-11,33H,6-7,12-13H2,1H3,(H2,24,28);3-10H,1-2H3,(H2,20,24);2-9H,1H3,(H2,19,23)(H,27,28).

What are the key properties of 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate?

4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate has a molecular weight of 1269.23 g/mol, XLogP of 4.79, 15 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-(3-hydroxyoxetan-3-yl)-4-pyridin-3-ylpentan-3-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoic acid;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-pyridin-3-ylpropanoate is sourced from PubChem (CID 159492667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).