4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C27H28FN7O2 — CID 58508039

About 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58508039) has the molecular formula C27H28FN7O2 and a molecular weight of 501.57 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 58508039
• Molecular Formula: C27H28FN7O2
• Molecular Weight: 501.57 g/mol
• Exact Mass: 501.23
• IUPAC Name: 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: CN1CCN(Cc2ccc3c(n2)oc2c(N4CCOCC4)nc(-c4cc(F)cc5[nH]ccc45)nc23)CC1
• InChI: InChI=1S/C27H28FN7O2/c1-33-6-8-34(9-7-33)16-18-2-3-20-23-24(37-27(20)30-18)26(35-10-12-36-13-11-35)32-25(31-23)21-14-17(28)15-22-19(21)4-5-29-22/h2-5,14-15,29H,6-13,16H2,1H3
• InChIKey: FGRURVCLSVZKSV-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 86.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.57
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58508039) is 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CN1CCN(Cc2ccc3c(n2)oc2c(N4CCOCC4)nc(-c4cc(F)cc5[nH]ccc45)nc23)CC1.

What is the InChIKey of 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is FGRURVCLSVZKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O2/c1-33-6-8-34(9-7-33)16-18-2-3-20-23-24(37-27(20)30-18)26(35-10-12-36-13-11-35)32-25(31-23)21-14-17(28)15-22-19(21)4-5-29-22/h2-5,14-15,29H,6-13,16H2,1H3.

What are the key properties of 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 501.57 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-fluoro-1H-indol-4-yl)-11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58508039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).