3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine

C19H24F2N6 — CID 168937144

About 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine

3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine (PubChem CID 168937144) has the molecular formula C19H24F2N6 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine.

Molecular Properties

• Compound Name: 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
• PubChem CID: 168937144
• Molecular Formula: C19H24F2N6
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.20
• IUPAC Name: 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
• SMILES: C=N/C=C\N=C1/CC=C(CNC2=CNCC(F)=C2N2CCNCC2)C=C1F
• InChI: InChI=1S/C19H24F2N6/c1-22-4-5-25-17-3-2-14(10-15(17)20)11-26-18-13-24-12-16(21)19(18)27-8-6-23-7-9-27/h2,4-5,10,13,23-24,26H,1,3,6-9,11-12H2/b5-4-,25-17+
• InChIKey: OPFZUHOUCPIZSU-WBEIMRSESA-N
• XLogP: 1.90
• TPSA: 64.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?

The IUPAC name of 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine (CID 168937144) is 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine.

What is the SMILES notation for 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?

The canonical SMILES for 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine is C=N/C=C\N=C1/CC=C(CNC2=CNCC(F)=C2N2CCNCC2)C=C1F.

What is the InChIKey of 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?

The InChIKey is OPFZUHOUCPIZSU-WBEIMRSESA-N. The full InChI is InChI=1S/C19H24F2N6/c1-22-4-5-25-17-3-2-14(10-15(17)20)11-26-18-13-24-12-16(21)19(18)27-8-6-23-7-9-27/h2,4-5,10,13,23-24,26H,1,3,6-9,11-12H2/b5-4-,25-17+.

What are the key properties of 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?

3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine has a molecular weight of 374.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[[5-fluoro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168937144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).