7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C36H33F3N8O3 — CID 135237054

About 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 135237054) has the molecular formula C36H33F3N8O3 and a molecular weight of 682.71 g/mol. Its IUPAC name is 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 135237054
• Molecular Formula: C36H33F3N8O3
• Molecular Weight: 682.71 g/mol
• Exact Mass: 682.26
• IUPAC Name: 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: Cc1nnc(-c2ccc(C3=CCN(C(=O)CN4CCC5(CCN(c6ccc7[nH]nc(-c8ccnc(C(F)(F)F)c8)c7c6)C5=O)C4)CC3)cc2)o1
• InChI: InChI=1S/C36H33F3N8O3/c1-22-41-44-33(50-22)25-4-2-23(3-5-25)24-9-14-46(15-10-24)31(48)20-45-16-11-35(21-45)12-17-47(34(35)49)27-6-7-29-28(19-27)32(43-42-29)26-8-13-40-30(18-26)36(37,38)39/h2-9,13,18-19H,10-12,14-17,20-21H2,1H3,(H,42,43)
• InChIKey: DWXWKYPZMIEBOY-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 124.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.71
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 135237054) is 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is Cc1nnc(-c2ccc(C3=CCN(C(=O)CN4CCC5(CCN(c6ccc7[nH]nc(-c8ccnc(C(F)(F)F)c8)c7c6)C5=O)C4)CC3)cc2)o1.

What is the InChIKey of 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is DWXWKYPZMIEBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F3N8O3/c1-22-41-44-33(50-22)25-4-2-23(3-5-25)24-9-14-46(15-10-24)31(48)20-45-16-11-35(21-45)12-17-47(34(35)49)27-6-7-29-28(19-27)32(43-42-29)26-8-13-40-30(18-26)36(37,38)39/h2-9,13,18-19H,10-12,14-17,20-21H2,1H3,(H,42,43).

What are the key properties of 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?

7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 682.71 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 135237054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).