5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide

C29H35FN6O3 — CID 118417999

About 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide

5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 118417999) has the molecular formula C29H35FN6O3 and a molecular weight of 534.64 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 118417999
• Molecular Formula: C29H35FN6O3
• Molecular Weight: 534.64 g/mol
• Exact Mass: 534.28
• IUPAC Name: 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: CCc1ccc(F)c(C(=O)NC(C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccc3[nH]ncc3c2)C(C)C)c1
• InChI: InChI=1S/C29H35FN6O3/c1-5-19-6-8-23(30)22(14-19)26(37)32-25(18(2)3)27(38)35-12-10-29(11-13-35)28(39)34(4)17-36(29)21-7-9-24-20(15-21)16-31-33-24/h6-9,14-16,18,25H,5,10-13,17H2,1-4H3,(H,31,33)(H,32,37)
• InChIKey: USPZQBGGBVVQBD-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 101.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.64
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 118417999) is 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide is CCc1ccc(F)c(C(=O)NC(C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccc3[nH]ncc3c2)C(C)C)c1.

What is the InChIKey of 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide?

The InChIKey is USPZQBGGBVVQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN6O3/c1-5-19-6-8-23(30)22(14-19)26(37)32-25(18(2)3)27(38)35-12-10-29(11-13-35)28(39)34(4)17-36(29)21-7-9-24-20(15-21)16-31-33-24/h6-9,14-16,18,25H,5,10-13,17H2,1-4H3,(H,31,33)(H,32,37).

What are the key properties of 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide?

5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 534.64 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 118417999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).