7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium

C22H29F3N5O2U- — CID 171493449

About 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium

7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium (PubChem CID 171493449) has the molecular formula C22H29F3N5O2U- and a molecular weight of 690.53 g/mol. Its IUPAC name is 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium.

Molecular Properties

• Compound Name: 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium
• PubChem CID: 171493449
• Molecular Formula: C22H29F3N5O2U-
• Molecular Weight: 690.53 g/mol
• Exact Mass: 690.28
• IUPAC Name: 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium
• SMILES: [H]/[C-]=C(\CCNC1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C)N1CCN(C(=O)C2CC2)CC1.[U]
• InChI: InChI=1S/C22H29F3N5O2.U/c1-13(29-8-10-30(11-9-29)20(32)14-4-5-14)6-7-26-18-17-15(12-21(18,2)3)16(22(23,24)25)19(31)28-27-17;/h1,14,18,26H,4-12H2,2-3H3,(H,28,31);/q-1
• InChIKey: DNTCQXKQFUVLHS-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.53
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium?

The IUPAC name of 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium (CID 171493449) is 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium.

What is the SMILES notation for 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium?

The canonical SMILES for 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium is [H]/[C-]=C(\CCNC1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C)N1CCN(C(=O)C2CC2)CC1.[U].

What is the InChIKey of 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium?

The InChIKey is DNTCQXKQFUVLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N5O2.U/c1-13(29-8-10-30(11-9-29)20(32)14-4-5-14)6-7-26-18-17-15(12-21(18,2)3)16(22(23,24)25)19(31)28-27-17;/h1,14,18,26H,4-12H2,2-3H3,(H,28,31);/q-1;.

What are the key properties of 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium?

7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium has a molecular weight of 690.53 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]but-3-enylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium is sourced from PubChem (CID 171493449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).