1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol

C25H31ClN6O2 — CID 135276394

About 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol

1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol (PubChem CID 135276394) has the molecular formula C25H31ClN6O2 and a molecular weight of 483.02 g/mol. Its IUPAC name is 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol.

Molecular Properties

• Compound Name: 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
• PubChem CID: 135276394
• Molecular Formula: C25H31ClN6O2
• Molecular Weight: 483.02 g/mol
• Exact Mass: 482.22
• IUPAC Name: 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
• SMILES: Cc1nc(N2CC(C)(O)C2)cc(-n2ncc3cc(Cl)c(C4CCN(C5CCOC5)CC4)cc32)n1
• InChI: InChI=1S/C25H31ClN6O2/c1-16-28-23(31-14-25(2,33)15-31)11-24(29-16)32-22-10-20(21(26)9-18(22)12-27-32)17-3-6-30(7-4-17)19-5-8-34-13-19/h9-12,17,19,33H,3-8,13-15H2,1-2H3
• InChIKey: FXVCITGENUXFPP-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 79.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.02
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol (CID 135276394) is 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol.

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

The canonical SMILES for 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol is Cc1nc(N2CC(C)(O)C2)cc(-n2ncc3cc(Cl)c(C4CCN(C5CCOC5)CC4)cc32)n1.

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

The InChIKey is FXVCITGENUXFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O2/c1-16-28-23(31-14-25(2,33)15-31)11-24(29-16)32-22-10-20(21(26)9-18(22)12-27-32)17-3-6-30(7-4-17)19-5-8-34-13-19/h9-12,17,19,33H,3-8,13-15H2,1-2H3.

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

1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol has a molecular weight of 483.02 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol is sourced from PubChem (CID 135276394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).