1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

C40H47F3N8O3 — CID 170255940

About 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 170255940) has the molecular formula C40H47F3N8O3 and a molecular weight of 744.86 g/mol. Its IUPAC name is 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
• PubChem CID: 170255940
• Molecular Formula: C40H47F3N8O3
• Molecular Weight: 744.86 g/mol
• Exact Mass: 744.37
• IUPAC Name: 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
• SMILES: CC(=O)N1CC2(CCN(c3nc(N4CC(N5CC6(CCOCC6)C5)C4)nc4c(OCC(F)(F)F)c(-c5c(C)ccc6[nH]ncc56)c(C5CC5)cc34)CC2)C1
• InChI: InChI=1S/C40H47F3N8O3/c1-24-3-6-31-30(16-44-47-31)32(24)33-28(26-4-5-26)15-29-34(35(33)54-23-40(41,42)43)45-37(49-17-27(18-49)51-21-39(22-51)9-13-53-14-10-39)46-36(29)48-11-7-38(8-12-48)19-50(20-38)25(2)52/h3,6,15-16,26-27H,4-5,7-14,17-23H2,1-2H3,(H,44,47)
• InChIKey: YYSUEEGWGGKOEH-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 102.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.86
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?

The IUPAC name of 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 170255940) is 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

What is the SMILES notation for 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?

The canonical SMILES for 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is CC(=O)N1CC2(CCN(c3nc(N4CC(N5CC6(CCOCC6)C5)C4)nc4c(OCC(F)(F)F)c(-c5c(C)ccc6[nH]ncc56)c(C5CC5)cc34)CC2)C1.

What is the InChIKey of 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?

The InChIKey is YYSUEEGWGGKOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47F3N8O3/c1-24-3-6-31-30(16-44-47-31)32(24)33-28(26-4-5-26)15-29-34(35(33)54-23-40(41,42)43)45-37(49-17-27(18-49)51-21-39(22-51)9-13-53-14-10-39)46-36(29)48-11-7-38(8-12-48)19-50(20-38)25(2)52/h3,6,15-16,26-27H,4-5,7-14,17-23H2,1-2H3,(H,44,47).

What are the key properties of 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?

1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 744.86 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[6-cyclopropyl-7-(5-methyl-1H-indazol-4-yl)-2-[3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)azetidin-1-yl]-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 170255940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).