1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one

C26H26FN7O2S — CID 176963658

About 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one

1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one (PubChem CID 176963658) has the molecular formula C26H26FN7O2S and a molecular weight of 519.61 g/mol. Its IUPAC name is 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one
• PubChem CID: 176963658
• Molecular Formula: C26H26FN7O2S
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.19
• IUPAC Name: 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one
• SMILES: Cc1nc(Oc2ccc(N3CCNC3=O)c3ccccc23)c(-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)s1
• InChI: InChI=1S/C26H26FN7O2S/c1-15-31-24(23(37-15)20-8-9-29-25(33-20)32-17-12-16(27)13-28-14-17)36-22-7-6-21(34-11-10-30-26(34)35)18-4-2-3-5-19(18)22/h2-9,16-17,28H,10-14H2,1H3,(H,30,35)(H,29,32,33)/t16-,17-/m0/s1
• InChIKey: QXYBFRLYMXHVSH-IRXDYDNUSA-N
• XLogP: 4.50
• TPSA: 104.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one?

The IUPAC name of 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one (CID 176963658) is 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one.

What is the SMILES notation for 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one?

The canonical SMILES for 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one is Cc1nc(Oc2ccc(N3CCNC3=O)c3ccccc23)c(-c2ccnc(N[C@@H]3CNC[C@@H](F)C3)n2)s1.

What is the InChIKey of 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one?

The InChIKey is QXYBFRLYMXHVSH-IRXDYDNUSA-N. The full InChI is InChI=1S/C26H26FN7O2S/c1-15-31-24(23(37-15)20-8-9-29-25(33-20)32-17-12-16(27)13-28-14-17)36-22-7-6-21(34-11-10-30-26(34)35)18-4-2-3-5-19(18)22/h2-9,16-17,28H,10-14H2,1H3,(H,30,35)(H,29,32,33)/t16-,17-/m0/s1.

What are the key properties of 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one?

1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one has a molecular weight of 519.61 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]imidazolidin-2-one is sourced from PubChem (CID 176963658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).