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

C22H30F3N5O3 — CID 171493557

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

7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one (PubChem CID 171493557) has the molecular formula C22H30F3N5O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

• Compound Name: 7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one
• PubChem CID: 171493557
• Molecular Formula: C22H30F3N5O3
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.23
• IUPAC Name: 7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one
• SMILES: CN(CCC(=O)N1CCN(C(=O)C2CC2)CC1)C1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C
• InChI: InChI=1S/C22H30F3N5O3/c1-21(2)12-14-16(22(23,24)25)19(32)27-26-17(14)18(21)28(3)7-6-15(31)29-8-10-30(11-9-29)20(33)13-4-5-13/h13,18H,4-12H2,1-3H3,(H,27,32)
• InChIKey: ILYMGMZGOSLASH-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one (CID 171493557) is 7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one.

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

The canonical SMILES for 7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one is CN(CCC(=O)N1CCN(C(=O)C2CC2)CC1)C1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C.

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

The InChIKey is ILYMGMZGOSLASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N5O3/c1-21(2)12-14-16(22(23,24)25)19(32)27-26-17(14)18(21)28(3)7-6-15(31)29-8-10-30(11-9-29)20(33)13-4-5-13/h13,18H,4-12H2,1-3H3,(H,27,32).

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

7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one has a molecular weight of 469.51 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 171493557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).