N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C33H28N10O3 — CID 122446232

About N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 122446232) has the molecular formula C33H28N10O3 and a molecular weight of 612.65 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 122446232
• Molecular Formula: C33H28N10O3
• Molecular Weight: 612.65 g/mol
• Exact Mass: 612.23
• IUPAC Name: N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: COCCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.COc1cnn(-c2ccc3c(n2)[nH]c2ccncc23)c1
• InChI: InChI=1S/C19H17N5O2.C14H11N5O/c1-26-9-8-21-19(25)17-4-2-12(10-22-17)15-5-3-13-14-11-20-7-6-16(14)24-18(13)23-15;1-20-9-6-16-19(8-9)13-3-2-10-11-7-15-5-4-12(11)17-14(10)18-13/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,23,24);2-8H,1H3,(H,17,18)
• InChIKey: ICOLZQIVBSOXRK-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 161.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.65
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 122446232) is N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is COCCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.COc1cnn(-c2ccc3c(n2)[nH]c2ccncc23)c1.

What is the InChIKey of N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is ICOLZQIVBSOXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2.C14H11N5O/c1-26-9-8-21-19(25)17-4-2-12(10-22-17)15-5-3-13-14-11-20-7-6-16(14)24-18(13)23-15;1-20-9-6-16-19(8-9)13-3-2-10-11-7-15-5-4-12(11)17-14(10)18-13/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,23,24);2-8H,1H3,(H,17,18).

What are the key properties of N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 612.65 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;11-(4-methoxypyrazol-1-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 122446232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).