2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine

C46H46F4N14 — CID 159675594

About 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine

2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (PubChem CID 159675594) has the molecular formula C46H46F4N14 and a molecular weight of 870.96 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

• Compound Name: 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
• PubChem CID: 159675594
• Molecular Formula: C46H46F4N14
• Molecular Weight: 870.96 g/mol
• Exact Mass: 870.40
• IUPAC Name: 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine
• SMILES: C[C@@H]1CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)[C@@H](C)CN1.C[C@@H]1CN[C@@H](C)CN1c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12
• InChI: InChI=1S/2C23H23F2N7/c2*1-14-13-31(15(2)10-27-14)21-8-9-26-12-20(21)29-23-28-11-16-6-7-19(30-32(16)23)22-17(24)4-3-5-18(22)25/h2*3-9,11-12,14-15,27H,10,13H2,1-2H3,(H,28,29)/t2*14-,15+/m10/s1
• InChIKey: MUOCVCUIBSZFLJ-PNSAJKJISA-N
• XLogP: 8.00
• TPSA: 140.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	870.96
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?

The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine (CID 159675594) is 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine.

What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?

The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is C[C@@H]1CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)[C@@H](C)CN1.C[C@@H]1CN[C@@H](C)CN1c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12.

What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?

The InChIKey is MUOCVCUIBSZFLJ-PNSAJKJISA-N. The full InChI is InChI=1S/2C23H23F2N7/c2*1-14-13-31(15(2)10-27-14)21-8-9-26-12-20(21)29-23-28-11-16-6-7-19(30-32(16)23)22-17(24)4-3-5-18(22)25/h2*3-9,11-12,14-15,27H,10,13H2,1-2H3,(H,28,29)/t2*14-,15+/m10/s1.

What are the key properties of 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine?

2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 870.96 g/mol, XLogP of 8.00, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluorophenyl)-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine;2-(2,6-difluorophenyl)-N-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-pyridinyl]imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 159675594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).