1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol

C26H34N6O3 — CID 135276546

About 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol

1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol (PubChem CID 135276546) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol.

Molecular Properties

• Compound Name: 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol
• PubChem CID: 135276546
• Molecular Formula: C26H34N6O3
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.27
• IUPAC Name: 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol
• SMILES: COc1nc(N2CC(C)(O)C2)cc(-n2ncc3cc(C)c(C4CCN(C5CCOC5)CC4)cc32)n1
• InChI: InChI=1S/C26H34N6O3/c1-17-10-19-13-27-32(24-12-23(28-25(29-24)34-3)31-15-26(2,33)16-31)22(19)11-21(17)18-4-7-30(8-5-18)20-6-9-35-14-20/h10-13,18,20,33H,4-9,14-16H2,1-3H3
• InChIKey: LPDNFKGKFZQAFT-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 88.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol?

The IUPAC name of 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol (CID 135276546) is 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol.

What is the SMILES notation for 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol?

The canonical SMILES for 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol is COc1nc(N2CC(C)(O)C2)cc(-n2ncc3cc(C)c(C4CCN(C5CCOC5)CC4)cc32)n1.

What is the InChIKey of 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol?

The InChIKey is LPDNFKGKFZQAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-17-10-19-13-27-32(24-12-23(28-25(29-24)34-3)31-15-26(2,33)16-31)22(19)11-21(17)18-4-7-30(8-5-18)20-6-9-35-14-20/h10-13,18,20,33H,4-9,14-16H2,1-3H3.

What are the key properties of 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol?

1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol has a molecular weight of 478.60 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-methylazetidin-3-ol is sourced from PubChem (CID 135276546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).