7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

C31H39F7N5OU- — CID 171492953

About 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (PubChem CID 171492953) has the molecular formula C31H39F7N5OU- and a molecular weight of 868.70 g/mol. Its IUPAC name is 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

Molecular Properties

• Compound Name: 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
• PubChem CID: 171492953
• Molecular Formula: C31H39F7N5OU-
• Molecular Weight: 868.70 g/mol
• Exact Mass: 868.36
• IUPAC Name: 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
• SMILES: [H]/[C-]=C(\C1=C(F)CCN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)C1)N(CCC)CCCCCC(=C/C)/N=C/C(=C\C)C(F)(F)F.[U]
• InChI: InChI=1S/C31H39F7N5O.U/c1-5-15-42(16-10-8-9-11-22(7-3)39-18-21(6-2)30(33,34)35)20(4)24-19-43(17-14-25(24)32)26-13-12-23-27(31(36,37)38)29(44)41-40-28(23)26;/h4,6-7,18,26H,5,8-17,19H2,1-3H3,(H,41,44);/q-1;/b21-6+,22-7-,39-18+
• InChIKey: APLVOVILDFKLNC-UWENNEJISA-N
• XLogP: 7.78
• TPSA: 64.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.70
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The IUPAC name of 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (CID 171492953) is 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

What is the SMILES notation for 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The canonical SMILES for 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is [H]/[C-]=C(\C1=C(F)CCN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)C1)N(CCC)CCCCCC(=C/C)/N=C/C(=C\C)C(F)(F)F.[U].

What is the InChIKey of 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The InChIKey is APLVOVILDFKLNC-UWENNEJISA-N. The full InChI is InChI=1S/C31H39F7N5O.U/c1-5-15-42(16-10-8-9-11-22(7-3)39-18-21(6-2)30(33,34)35)20(4)24-19-43(17-14-25(24)32)26-13-12-23-27(31(36,37)38)29(44)41-40-28(23)26;/h4,6-7,18,26H,5,8-17,19H2,1-3H3,(H,41,44);/q-1;/b21-6+,22-7-,39-18+;.

What are the key properties of 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium has a molecular weight of 868.70 g/mol, XLogP of 7.78, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is sourced from PubChem (CID 171492953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).