5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine

C26H32FN7O3 — CID 170786599

About 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine

5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine (PubChem CID 170786599) has the molecular formula C26H32FN7O3 and a molecular weight of 509.59 g/mol. Its IUPAC name is 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine
• PubChem CID: 170786599
• Molecular Formula: C26H32FN7O3
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.26
• IUPAC Name: 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine
• SMILES: Cc1nc([C@H](C)Oc2nn(C)c3nnc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cc23)ccc1F
• InChI: InChI=1S/C26H32FN7O3/c1-14-18(27)10-11-19(29-14)15(2)35-23-16-12-20(31-32-21(16)34(9)33-23)17-13-28-24(37-26(6,7)8)30-22(17)36-25(3,4)5/h10-13,15H,1-9H3/t15-/m0/s1
• InChIKey: VKUADKNWKQQAFN-HNNXBMFYSA-N
• XLogP: 5.16
• TPSA: 109.96 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine (CID 170786599) is 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine is Cc1nc([C@H](C)Oc2nn(C)c3nnc(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cc23)ccc1F.

What is the InChIKey of 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine?

The InChIKey is VKUADKNWKQQAFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H32FN7O3/c1-14-18(27)10-11-19(29-14)15(2)35-23-16-12-20(31-32-21(16)34(9)33-23)17-13-28-24(37-26(6,7)8)30-22(17)36-25(3,4)5/h10-13,15H,1-9H3/t15-/m0/s1.

What are the key properties of 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine?

5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine has a molecular weight of 509.59 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-[(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)ethoxy]-1-methylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 170786599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).