2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane

C23H26N6O — CID 168895712

About 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane

2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane (PubChem CID 168895712) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane.

Molecular Properties

• Compound Name: 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane
• PubChem CID: 168895712
• Molecular Formula: C23H26N6O
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.22
• IUPAC Name: 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane
• SMILES: CC.Cc1cc(-c2ccc(-c3ccc(C4CNC4)nn3)c(O)c2)nc2cn(C)nc12
• InChI: InChI=1S/C21H20N6O.C2H6/c1-12-7-18(23-19-11-27(2)26-21(12)19)13-3-4-15(20(28)8-13)17-6-5-16(24-25-17)14-9-22-10-14;1-2/h3-8,11,14,22,28H,9-10H2,1-2H3;1-2H3
• InChIKey: FHWOJGTXPGDNJF-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane?

The IUPAC name of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane (CID 168895712) is 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane.

What is the SMILES notation for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane?

The canonical SMILES for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane is CC.Cc1cc(-c2ccc(-c3ccc(C4CNC4)nn3)c(O)c2)nc2cn(C)nc12.

What is the InChIKey of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane?

The InChIKey is FHWOJGTXPGDNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.C2H6/c1-12-7-18(23-19-11-27(2)26-21(12)19)13-3-4-15(20(28)8-13)17-6-5-16(24-25-17)14-9-22-10-14;1-2/h3-8,11,14,22,28H,9-10H2,1-2H3;1-2H3.

What are the key properties of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane?

2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane has a molecular weight of 402.50 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane is sourced from PubChem (CID 168895712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).