2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C24H28ClF2N5O — CID 24783328

About 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 24783328) has the molecular formula C24H28ClF2N5O and a molecular weight of 475.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 24783328
• Molecular Formula: C24H28ClF2N5O
• Molecular Weight: 475.97 g/mol
• Exact Mass: 475.20
• IUPAC Name: 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
• SMILES: C[C@@H]1CCc2ncnc(N3CCN(C(=O)C(CN4CC(F)(F)C4)c4ccc(Cl)cc4)CC3)c21
• InChI: InChI=1S/C24H28ClF2N5O/c1-16-2-7-20-21(16)22(29-15-28-20)31-8-10-32(11-9-31)23(33)19(12-30-13-24(26,27)14-30)17-3-5-18(25)6-4-17/h3-6,15-16,19H,2,7-14H2,1H3/t16-,19?/m1/s1
• InChIKey: MXTRUCGATHOJAJ-VTBWFHPJSA-N
• XLogP: 3.56
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.97
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 24783328) is 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is C[C@@H]1CCc2ncnc(N3CCN(C(=O)C(CN4CC(F)(F)C4)c4ccc(Cl)cc4)CC3)c21.

What is the InChIKey of 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The InChIKey is MXTRUCGATHOJAJ-VTBWFHPJSA-N. The full InChI is InChI=1S/C24H28ClF2N5O/c1-16-2-7-20-21(16)22(29-15-28-20)31-8-10-32(11-9-31)23(33)19(12-30-13-24(26,27)14-30)17-3-5-18(25)6-4-17/h3-6,15-16,19H,2,7-14H2,1H3/t16-,19?/m1/s1.

What are the key properties of 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 475.97 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-3-(3,3-difluoroazetidin-1-yl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24783328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).