7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-(2-phenylacetyl)-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'-(2-phenylacetyl)-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'-(2-phenylacetyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide (PubChem CID 123586421) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-(2-phenylacetyl)-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'-(2-phenylacetyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide
PubChem CID	123586421
Molecular Formula	C26H28FN5O4
Molecular Weight	493.54 g/mol
Exact Mass	493.21
IUPAC Name	7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-(2-phenylacetyl)-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)NNC(=O)Cc4ccccc4)cn1c23
InChI	InChI=1S/C26H28FN5O4/c1-16-15-36-25-22-18(13-20(27)23(25)31-10-8-30(2)9-11-31)24(34)19(14-32(16)22)26(35)29-28-21(33)12-17-6-4-3-5-7-17/h3-7,13-14,16H,8-12,15H2,1-2H3,(H,28,33)(H,29,35)
InChIKey	ZWXFLIYFLKOMHE-UHFFFAOYSA-N
XLogP	1.85
TPSA	95.91 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.54
LogP ≤ 5	1.85
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'-(2-phenylacetyl)-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'-(2-phenylacetyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide (CID 123586421) is 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-(2-phenylacetyl)-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'-(2-phenylacetyl)-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'-(2-phenylacetyl)-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)NNC(=O)Cc4ccccc4)cn1c23.

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

The InChIKey is ZWXFLIYFLKOMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-16-15-36-25-22-18(13-20(27)23(25)31-10-8-30(2)9-11-31)24(34)19(14-32(16)22)26(35)29-28-21(33)12-17-6-4-3-5-7-17/h3-7,13-14,16H,8-12,15H2,1-2H3,(H,28,33)(H,29,35).

What are the key properties of 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-N'-(2-phenylacetyl)-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'-(2-phenylacetyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide has a molecular weight of 493.54 g/mol, XLogP of 1.85, 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'-(2-phenylacetyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide is sourced from PubChem (CID 123586421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).