actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

C23H20AcF3N6- — CID 20626308

About actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine

actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 20626308) has the molecular formula C23H20AcF3N6- and a molecular weight of 664.45 g/mol. Its IUPAC name is actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

• Compound Name: actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
• PubChem CID: 20626308
• Molecular Formula: C23H20AcF3N6-
• Molecular Weight: 664.45 g/mol
• Exact Mass: 664.20
• IUPAC Name: actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
• SMILES: FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CC[N-]CC2)n1.[Ac]
• InChI: InChI=1S/C23H20F3N6.Ac/c24-23(25,26)17-7-3-1-5-15(17)21-28-19(14-9-11-27-12-10-14)13-20(29-21)30-22-16-6-2-4-8-18(16)31-32-22;/h1-8,13-14H,9-12H2,(H2,28,29,30,31,32);/q-1
• InChIKey: ZGWLMESKPFCPLF-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 80.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.45
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?

The IUPAC name of actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 20626308) is actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine.

What is the SMILES notation for actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?

The canonical SMILES for actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(C2CC[N-]CC2)n1.[Ac].

What is the InChIKey of actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?

The InChIKey is ZGWLMESKPFCPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N6.Ac/c24-23(25,26)17-7-3-1-5-15(17)21-28-19(14-9-11-27-12-10-14)13-20(29-21)30-22-16-6-2-4-8-18(16)31-32-22;/h1-8,13-14H,9-12H2,(H2,28,29,30,31,32);/q-1;.

What are the key properties of actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine?

actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 664.45 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 20626308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).