2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide

C28H25N7O4 — CID 25127676

About 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide

2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide (PubChem CID 25127676) has the molecular formula C28H25N7O4 and a molecular weight of 523.55 g/mol. Its IUPAC name is 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide.

Molecular Properties

• Compound Name: 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide
• PubChem CID: 25127676
• Molecular Formula: C28H25N7O4
• Molecular Weight: 523.55 g/mol
• Exact Mass: 523.20
• IUPAC Name: 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide
• SMILES: CN1C(=O)CCCn2c(=O)n(CC(=O)Nc3cc4c(cn3)CC3(C4)C(=O)Nc4ncccc43)c3cccc1c32
• InChI: InChI=1S/C28H25N7O4/c1-33-19-6-2-7-20-24(19)34(10-4-8-23(33)37)27(39)35(20)15-22(36)31-21-11-16-12-28(13-17(16)14-30-21)18-5-3-9-29-25(18)32-26(28)38/h2-3,5-7,9,11,14H,4,8,10,12-13,15H2,1H3,(H,29,32,38)(H,30,31,36)
• InChIKey: OWYGATYXEIKDMT-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 131.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.55
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide?

The IUPAC name of 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide (CID 25127676) is 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide.

What is the SMILES notation for 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide?

The canonical SMILES for 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide is CN1C(=O)CCCn2c(=O)n(CC(=O)Nc3cc4c(cn3)CC3(C4)C(=O)Nc4ncccc43)c3cccc1c32.

What is the InChIKey of 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide?

The InChIKey is OWYGATYXEIKDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O4/c1-33-19-6-2-7-20-24(19)34(10-4-8-23(33)37)27(39)35(20)15-22(36)31-21-11-16-12-28(13-17(16)14-30-21)18-5-3-9-29-25(18)32-26(28)38/h2-3,5-7,9,11,14H,4,8,10,12-13,15H2,1H3,(H,29,32,38)(H,30,31,36).

What are the key properties of 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide?

2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide has a molecular weight of 523.55 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-yl)acetamide is sourced from PubChem (CID 25127676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).