11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide

C33H25FN10O2 — CID 122446304

About 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide

11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide (PubChem CID 122446304) has the molecular formula C33H25FN10O2 and a molecular weight of 612.63 g/mol. Its IUPAC name is 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide
• PubChem CID: 122446304
• Molecular Formula: C33H25FN10O2
• Molecular Weight: 612.63 g/mol
• Exact Mass: 612.21
• IUPAC Name: 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide
• SMILES: CNc1ccc(C(=O)Nc2ccc3c(n2)[nH]c2ccncc23)cn1.COc1cc2[nH]c3nc(-c4ccc(F)nc4)ccc3c2cn1
• InChI: InChI=1S/C17H14N6O.C16H11FN4O/c1-18-14-4-2-10(8-20-14)17(24)23-15-5-3-11-12-9-19-7-6-13(12)21-16(11)22-15;1-22-15-6-13-11(8-19-15)10-3-4-12(20-16(10)21-13)9-2-5-14(17)18-7-9/h2-9H,1H3,(H,18,20)(H2,21,22,23,24);2-8H,1H3,(H,20,21)
• InChIKey: DJEWMMJCQSKHJX-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 159.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.63
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?

The IUPAC name of 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide (CID 122446304) is 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide.

What is the SMILES notation for 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?

The canonical SMILES for 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide is CNc1ccc(C(=O)Nc2ccc3c(n2)[nH]c2ccncc23)cn1.COc1cc2[nH]c3nc(-c4ccc(F)nc4)ccc3c2cn1.

What is the InChIKey of 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?

The InChIKey is DJEWMMJCQSKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O.C16H11FN4O/c1-18-14-4-2-10(8-20-14)17(24)23-15-5-3-11-12-9-19-7-6-13(12)21-16(11)22-15;1-22-15-6-13-11(8-19-15)10-3-4-12(20-16(10)21-13)9-2-5-14(17)18-7-9/h2-9H,1H3,(H,18,20)(H2,21,22,23,24);2-8H,1H3,(H,20,21).

What are the key properties of 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?

11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide has a molecular weight of 612.63 g/mol, XLogP of 6.12, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(6-fluoro-3-pyridinyl)-5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122446304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).