2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide

C27H29FN6O4 — CID 129224644

About 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide

2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide (PubChem CID 129224644) has the molecular formula C27H29FN6O4 and a molecular weight of 520.57 g/mol. Its IUPAC name is 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide
• PubChem CID: 129224644
• Molecular Formula: C27H29FN6O4
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.22
• IUPAC Name: 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide
• SMILES: Cc1ccc(F)c(C(=O)NC(C)(C)C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccc3[nH]ncc3c2)c1
• InChI: InChI=1S/C27H29FN6O4/c1-16-5-7-20(28)19(13-16)22(35)30-26(2,3)23(36)33-11-9-27(10-12-33)24(37)32(4)25(38)34(27)18-6-8-21-17(14-18)15-29-31-21/h5-8,13-15H,9-12H2,1-4H3,(H,29,31)(H,30,35)
• InChIKey: KNQIXCFGTURVPJ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 118.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide (CID 129224644) is 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide.

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

The canonical SMILES for 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC(C)(C)C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccc3[nH]ncc3c2)c1.

What is the InChIKey of 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide?

The InChIKey is KNQIXCFGTURVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O4/c1-16-5-7-20(28)19(13-16)22(35)30-26(2,3)23(36)33-11-9-27(10-12-33)24(37)32(4)25(38)34(27)18-6-8-21-17(14-18)15-29-31-21/h5-8,13-15H,9-12H2,1-4H3,(H,29,31)(H,30,35).

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

2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide has a molecular weight of 520.57 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl]-5-methylbenzamide is sourced from PubChem (CID 129224644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).