6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide

C24H23FN4O — CID 56847724

IUPAC6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CN2CCC3(c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C24H23FN4O/c1-26-23(30)22-9-8-21(27-28-22)16-2-7-20-17(14-16)15-29-12-10-24(20,11-13-29)18-3-5-19(25)6-4-18/h2-9,14H,10-13,15H2,1H3,(H,26,30)
InChIKeyOQNBKBIOWPZESK-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.54
Rot. Bonds3

About 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide

6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 56847724) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide
PubChem CID56847724
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CN2CCC3(c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C24H23FN4O/c1-26-23(30)22-9-8-21(27-28-22)16-2-7-20-17(14-16)15-29-12-10-24(20,11-13-29)18-3-5-19(25)6-4-18/h2-9,14H,10-13,15H2,1H3,(H,26,30)
InChIKeyOQNBKBIOWPZESK-UHFFFAOYSA-N
XLogP3.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide (CID 56847724) is 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(-c2ccc3c(c2)CN2CCC3(c3ccc(F)cc3)CC2)nn1.
What is the InChIKey of 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is OQNBKBIOWPZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-26-23(30)22-9-8-21(27-28-22)16-2-7-20-17(14-16)15-29-12-10-24(20,11-13-29)18-3-5-19(25)6-4-18/h2-9,14H,10-13,15H2,1H3,(H,26,30).
What are the key properties of 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide?
6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-5-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 56847724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).