4-(6-fluoro-1H-indazol-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

C26H27FN8O2 — CID 58507895

IUPAC4-(6-fluoro-1H-indazol-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
SMILESCN1CCN(Cc2ccc3c(n2)oc2c(N4CCOCC4)nc(-c4cc(F)cc5[nH]ncc45)nc23)CC1
InChIInChI=1S/C26H27FN8O2/c1-33-4-6-34(7-5-33)15-17-2-3-18-22-23(37-26(18)29-17)25(35-8-10-36-11-9-35)31-24(30-22)19-12-16(27)13-21-20(19)14-28-32-21/h2-3,12-14H,4-11,15H2,1H3,(H,28,32)
InChIKeyLTZKUYBJEXIKNH-UHFFFAOYSA-N
MW502.55 g/mol
LogP3.04
Rot. Bonds4

About 4-(6-fluoro-1H-indazol-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-indazol-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 58507895) has the molecular formula C26H27FN8O2 and a molecular weight of 502.55 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indazol-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 Name4-(6-fluoro-1H-indazol-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 CID58507895
Molecular FormulaC26H27FN8O2
Molecular Weight502.55 g/mol
Exact Mass502.22
IUPAC Name4-(6-fluoro-1H-indazol-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
SMILESCN1CCN(Cc2ccc3c(n2)oc2c(N4CCOCC4)nc(-c4cc(F)cc5[nH]ncc45)nc23)CC1
InChIInChI=1S/C26H27FN8O2/c1-33-4-6-34(7-5-33)15-17-2-3-18-22-23(37-26(18)29-17)25(35-8-10-36-11-9-35)31-24(30-22)19-12-16(27)13-21-20(19)14-28-32-21/h2-3,12-14H,4-11,15H2,1H3,(H,28,32)
InChIKeyLTZKUYBJEXIKNH-UHFFFAOYSA-N
XLogP3.04
TPSA99.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(6-fluoro-1H-indazol-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indazol-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-indazol-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 58507895) is 4-(6-fluoro-1H-indazol-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-indazol-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-indazol-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]ncc45)nc23)CC1.
What is the InChIKey of 4-(6-fluoro-1H-indazol-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 LTZKUYBJEXIKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O2/c1-33-4-6-34(7-5-33)15-17-2-3-18-22-23(37-26(18)29-17)25(35-8-10-36-11-9-35)31-24(30-22)19-12-16(27)13-21-20(19)14-28-32-21/h2-3,12-14H,4-11,15H2,1H3,(H,28,32).
What are the key properties of 4-(6-fluoro-1H-indazol-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-indazol-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 502.55 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indazol-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 58507895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).