8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile

C24H24FN5O2 — CID 75251418

IUPAC8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile
SMILESCC1COc2c(NC3CCCC(c4cccnc4)C3)c(F)c(N)c3c(=O)c(C#N)cn1c23
InChIInChI=1S/C24H24FN5O2/c1-13-12-32-24-21(29-17-6-2-4-14(8-17)15-5-3-7-28-10-15)19(25)20(27)18-22(24)30(13)11-16(9-26)23(18)31/h3,5,7,10-11,13-14,17,29H,2,4,6,8,12,27H2,1H3
InChIKeyZSWFLFOSNHFYLE-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.08
Rot. Bonds3

About 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile

8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile (PubChem CID 75251418) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile.

Molecular Properties

Compound Name8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile
PubChem CID75251418
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile
SMILESCC1COc2c(NC3CCCC(c4cccnc4)C3)c(F)c(N)c3c(=O)c(C#N)cn1c23
InChIInChI=1S/C24H24FN5O2/c1-13-12-32-24-21(29-17-6-2-4-14(8-17)15-5-3-7-28-10-15)19(25)20(27)18-22(24)30(13)11-16(9-26)23(18)31/h3,5,7,10-11,13-14,17,29H,2,4,6,8,12,27H2,1H3
InChIKeyZSWFLFOSNHFYLE-UHFFFAOYSA-N
XLogP4.08
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile?
The IUPAC name of 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile (CID 75251418) is 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile.
What is the SMILES notation for 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile?
The canonical SMILES for 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile is CC1COc2c(NC3CCCC(c4cccnc4)C3)c(F)c(N)c3c(=O)c(C#N)cn1c23.
What is the InChIKey of 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile?
The InChIKey is ZSWFLFOSNHFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-13-12-32-24-21(29-17-6-2-4-14(8-17)15-5-3-7-28-10-15)19(25)20(27)18-22(24)30(13)11-16(9-26)23(18)31/h3,5,7,10-11,13-14,17,29H,2,4,6,8,12,27H2,1H3.
What are the key properties of 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile?
8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile has a molecular weight of 433.49 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-fluoro-2-methyl-10-oxo-6-[(3-pyridin-3-ylcyclohexyl)amino]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbonitrile is sourced from PubChem (CID 75251418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).