6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine

C21H17ClF3N5 — CID 157032619

About 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine

6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157032619) has the molecular formula C21H17ClF3N5 and a molecular weight of 431.85 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
• PubChem CID: 157032619
• Molecular Formula: C21H17ClF3N5
• Molecular Weight: 431.85 g/mol
• Exact Mass: 431.11
• IUPAC Name: 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
• SMILES: FC(F)(F)Cn1nc(C2CC2)c2ccc([C@H]3C[C@@H]3c3cc(Cl)nn4ccnc34)cc21
• InChI: InChI=1S/C21H17ClF3N5/c22-18-9-16(20-26-5-6-29(20)27-18)15-8-14(15)12-3-4-13-17(7-12)30(10-21(23,24)25)28-19(13)11-1-2-11/h3-7,9,11,14-15H,1-2,8,10H2/t14-,15+/m1/s1
• InChIKey: ZVTDKZVTSOVREA-CABCVRRESA-N
• XLogP: 5.44
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.85
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?

The IUPAC name of 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157032619) is 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is FC(F)(F)Cn1nc(C2CC2)c2ccc([C@H]3C[C@@H]3c3cc(Cl)nn4ccnc34)cc21.

What is the InChIKey of 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?

The InChIKey is ZVTDKZVTSOVREA-CABCVRRESA-N. The full InChI is InChI=1S/C21H17ClF3N5/c22-18-9-16(20-26-5-6-29(20)27-18)15-8-14(15)12-3-4-13-17(7-12)30(10-21(23,24)25)28-19(13)11-1-2-11/h3-7,9,11,14-15H,1-2,8,10H2/t14-,15+/m1/s1.

What are the key properties of 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine?

6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 431.85 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).