7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

About 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (PubChem CID 171493430) has the molecular formula C22H27F3N5O2U- and a molecular weight of 688.51 g/mol. Its IUPAC name is 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

Molecular Properties

Compound Name	7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
PubChem CID	171493430
Molecular Formula	C22H27F3N5O2U-
Molecular Weight	688.51 g/mol
Exact Mass	688.26
IUPAC Name	7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
SMILES	[H]/[C-]=C(/C1CC1)N1CCN(C(=O)C2(F)CN(C3CCc4c3n[nH]c(=O)c4C(C)(F)F)C2)CC1.[U]
InChI	InChI=1S/C22H27F3N5O2.U/c1-13(14-3-4-14)28-7-9-29(10-8-28)20(32)22(25)11-30(12-22)16-6-5-15-17(21(2,23)24)19(31)27-26-18(15)16;/h1,14,16H,3-12H2,2H3,(H,27,31);/q-1;
InChIKey	LQUXLMMFYHVMOV-UHFFFAOYSA-N
XLogP	1.76
TPSA	72.54 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	688.51
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The IUPAC name of 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (CID 171493430) is 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

What is the SMILES notation for 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The canonical SMILES for 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is [H]/[C-]=C(/C1CC1)N1CCN(C(=O)C2(F)CN(C3CCc4c3n[nH]c(=O)c4C(C)(F)F)C2)CC1.[U].

What is the InChIKey of 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The InChIKey is LQUXLMMFYHVMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N5O2.U/c1-13(14-3-4-14)28-7-9-29(10-8-28)20(32)22(25)11-30(12-22)16-6-5-15-17(21(2,23)24)19(31)27-26-18(15)16;/h1,14,16H,3-12H2,2H3,(H,27,31);/q-1;.

What are the key properties of 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium has a molecular weight of 688.51 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]-3-fluoroazetidin-1-yl]-4-(1,1-difluoroethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is sourced from PubChem (CID 171493430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).