2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide

C29H34FN7O4 — CID 129224782

About 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide

2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide (PubChem CID 129224782) has the molecular formula C29H34FN7O4 and a molecular weight of 563.63 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide
• PubChem CID: 129224782
• Molecular Formula: C29H34FN7O4
• Molecular Weight: 563.63 g/mol
• Exact Mass: 563.27
• IUPAC Name: 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide
• SMILES: Cc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccn3nc(C)nc3c2)C(C)C)c1
• InChI: InChI=1S/C29H34FN7O4/c1-17(2)24(32-25(38)21-14-18(3)6-7-22(21)30)26(39)35-12-9-29(10-13-35)27(40)34(5)28(41)36(29)16-20-8-11-37-23(15-20)31-19(4)33-37/h6-8,11,14-15,17,24H,9-10,12-13,16H2,1-5H3,(H,32,38)/t24-/m1/s1
• InChIKey: DGJQPYLESXLJLX-XMMPIXPASA-N
• XLogP: 2.70
• TPSA: 120.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.63
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide?

The IUPAC name of 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide (CID 129224782) is 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide is Cc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccn3nc(C)nc3c2)C(C)C)c1.

What is the InChIKey of 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide?

The InChIKey is DGJQPYLESXLJLX-XMMPIXPASA-N. The full InChI is InChI=1S/C29H34FN7O4/c1-17(2)24(32-25(38)21-14-18(3)6-7-22(21)30)26(39)35-12-9-29(10-13-35)27(40)34(5)28(41)36(29)16-20-8-11-37-23(15-20)31-19(4)33-37/h6-8,11,14-15,17,24H,9-10,12-13,16H2,1-5H3,(H,32,38)/t24-/m1/s1.

What are the key properties of 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide?

2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide has a molecular weight of 563.63 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-methyl-N-[(2R)-3-methyl-1-[3-methyl-1-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 129224782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).