5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C25H22N8O2 — CID 11317270

About 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 11317270) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
• PubChem CID: 11317270
• Molecular Formula: C25H22N8O2
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.19
• IUPAC Name: 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
• SMILES: Cc1cccc(COc2nn3c(-c4nc(-c5cccnc5)no4)nnc3c3c2C2CCC3CC2)n1
• InChI: InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3
• InChIKey: MSSJDNLPCMINCW-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 117.01 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 11317270) is 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1cccc(COc2nn3c(-c4nc(-c5cccnc5)no4)nnc3c3c2C2CCC3CC2)n1.

What is the InChIKey of 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?

The InChIKey is MSSJDNLPCMINCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3.

What are the key properties of 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?

5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 466.51 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 11317270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).