7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

C32H40F6N5OU- — CID 171493549

About 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (PubChem CID 171493549) has the molecular formula C32H40F6N5OU- and a molecular weight of 862.72 g/mol. Its IUPAC name is 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

Molecular Properties

• Compound Name: 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
• PubChem CID: 171493549
• Molecular Formula: C32H40F6N5OU-
• Molecular Weight: 862.72 g/mol
• Exact Mass: 862.37
• IUPAC Name: 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-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)CCCCCC1=C/CC/C=C(C(C)(F)F)/C=N\1.[U]
• InChI: InChI=1S/C32H40F6N5O.U/c1-4-16-42(17-9-5-6-11-23-12-8-7-10-22(19-39-23)31(3,34)35)21(2)25-20-43(18-15-26(25)33)27-14-13-24-28(32(36,37)38)30(44)41-40-29(24)27;/h2,10,12,19,27H,4-9,11,13-18,20H2,1,3H3,(H,41,44);/q-1;/b22-10+,23-12-,39-19-
• InChIKey: VIXMLWYIPGMDNP-XBQMSWGUSA-N
• XLogP: 7.62
• TPSA: 64.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.72
LogP ≤ 5	7.62
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'}

Frequently Asked Questions

What is the IUPAC name of 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The IUPAC name of 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (CID 171493549) is 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-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-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The canonical SMILES for 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-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)CCCCCC1=C/CC/C=C(C(C)(F)F)/C=N\1.[U].

What is the InChIKey of 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The InChIKey is VIXMLWYIPGMDNP-XBQMSWGUSA-N. The full InChI is InChI=1S/C32H40F6N5O.U/c1-4-16-42(17-9-5-6-11-23-12-8-7-10-22(19-39-23)31(3,34)35)21(2)25-20-43(18-15-26(25)33)27-14-13-24-28(32(36,37)38)30(44)41-40-29(24)27;/h2,10,12,19,27H,4-9,11,13-18,20H2,1,3H3,(H,41,44);/q-1;/b22-10+,23-12-,39-19-;.

What are the key properties of 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium has a molecular weight of 862.72 g/mol, XLogP of 7.62, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is sourced from PubChem (CID 171493549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).