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

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

7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide (PubChem CID 123318155) has the molecular formula C25H25F4N5O3 and a molecular weight of 519.50 g/mol. Its IUPAC name is 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-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-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide
PubChem CID	123318155
Molecular Formula	C25H25F4N5O3
Molecular Weight	519.50 g/mol
Exact Mass	519.19
IUPAC Name	7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide
SMILES	CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NNc4ccc(C(F)(F)F)cc4)cn1c23
InChI	InChI=1S/C25H25F4N5O3/c1-14-13-37-23-20-17(11-19(26)21(23)33-9-7-32(2)8-10-33)22(35)18(12-34(14)20)24(36)31-30-16-5-3-15(4-6-16)25(27,28)29/h3-6,11-12,14,30H,7-10,13H2,1-2H3,(H,31,36)
InChIKey	QPTGAKCIQCAOOD-UHFFFAOYSA-N
XLogP	3.62
TPSA	78.84 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.50
LogP ≤ 5	3.62
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-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-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-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide (CID 123318155) is 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-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-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-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-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide is CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NNc4ccc(C(F)(F)F)cc4)cn1c23.

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

The InChIKey is QPTGAKCIQCAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N5O3/c1-14-13-37-23-20-17(11-19(26)21(23)33-9-7-32(2)8-10-33)22(35)18(12-34(14)20)24(36)31-30-16-5-3-15(4-6-16)25(27,28)29/h3-6,11-12,14,30H,7-10,13H2,1-2H3,(H,31,36).

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

7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide has a molecular weight of 519.50 g/mol, XLogP of 3.62, 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-6-(4-methylpiperazin-1-yl)-10-oxo-N'-[4-(trifluoromethyl)phenyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide is sourced from PubChem (CID 123318155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).