7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide

About 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide

7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide (PubChem CID 123283649) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide.

Molecular Properties

Compound Name	7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide
PubChem CID	123283649
Molecular Formula	C25H28FN5O3
Molecular Weight	465.53 g/mol
Exact Mass	465.22
IUPAC Name	7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide
SMILES	Cc1ccc(NNC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OCC3C)cc1
InChI	InChI=1S/C25H28FN5O3/c1-15-4-6-17(7-5-15)27-28-25(33)19-13-31-16(2)14-34-24-21(31)18(23(19)32)12-20(26)22(24)30-10-8-29(3)9-11-30/h4-7,12-13,16,27H,8-11,14H2,1-3H3,(H,28,33)
InChIKey	FNSJQKFMRVVJCX-UHFFFAOYSA-N
XLogP	2.91
TPSA	78.84 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide?

The IUPAC name of 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide (CID 123283649) is 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide.

What is the SMILES notation for 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide?

The canonical SMILES for 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide is Cc1ccc(NNC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OCC3C)cc1.

What is the InChIKey of 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide?

The InChIKey is FNSJQKFMRVVJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-15-4-6-17(7-5-15)27-28-25(33)19-13-31-16(2)14-34-24-21(31)18(23(19)32)12-20(26)22(24)30-10-8-29(3)9-11-30/h4-7,12-13,16,27H,8-11,14H2,1-3H3,(H,28,33).

What are the key properties of 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide?

7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide has a molecular weight of 465.53 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-methyl-N'-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide is sourced from PubChem (CID 123283649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).