[(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C23H24F4N8O — CID 155922348

About [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

[(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 155922348) has the molecular formula C23H24F4N8O and a molecular weight of 504.49 g/mol. Its IUPAC name is [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 155922348
• Molecular Formula: C23H24F4N8O
• Molecular Weight: 504.49 g/mol
• Exact Mass: 504.20
• IUPAC Name: [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: O=C([C@@H]1C[C@@H]1F)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1CNNC1
• InChI: InChI=1S/C23H24F4N8O/c24-16-7-15(16)22(36)34-6-5-33(12-18(34)13-8-30-31-9-13)20-3-4-28-21(32-20)17-10-29-19-2-1-14(11-35(17)19)23(25,26)27/h1-4,10-11,13,15-16,18,30-31H,5-9,12H2/t15-,16+,18?/m1/s1
• InChIKey: IDLTVFFHAQBVTK-LNKXUWQBSA-N
• XLogP: 1.91
• TPSA: 90.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.49
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 155922348) is [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is O=C([C@@H]1C[C@@H]1F)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1CNNC1.

What is the InChIKey of [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The InChIKey is IDLTVFFHAQBVTK-LNKXUWQBSA-N. The full InChI is InChI=1S/C23H24F4N8O/c24-16-7-15(16)22(36)34-6-5-33(12-18(34)13-8-30-31-9-13)20-3-4-28-21(32-20)17-10-29-19-2-1-14(11-35(17)19)23(25,26)27/h1-4,10-11,13,15-16,18,30-31H,5-9,12H2/t15-,16+,18?/m1/s1.

What are the key properties of [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

[(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 504.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 155922348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).