methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol

C25H34N6O2 — CID 160581893

About methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol

methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol (PubChem CID 160581893) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol.

Molecular Properties

• Compound Name: methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol
• PubChem CID: 160581893
• Molecular Formula: C25H34N6O2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.27
• IUPAC Name: methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol
• SMILES: C.Cc1nc(N2CC3CC2CO3)cc(-n2ncc3cc(C)c(C4CCNCC4(C)O)cc32)n1
• InChI: InChI=1S/C24H30N6O2.CH4/c1-14-6-16-10-26-30(21(16)8-19(14)20-4-5-25-13-24(20,3)31)23-9-22(27-15(2)28-23)29-11-18-7-17(29)12-32-18;/h6,8-10,17-18,20,25,31H,4-5,7,11-13H2,1-3H3;1H4
• InChIKey: RBWUOEVURHWNJG-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 88.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol?

The IUPAC name of methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol (CID 160581893) is methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol.

What is the SMILES notation for methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol?

The canonical SMILES for methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol is C.Cc1nc(N2CC3CC2CO3)cc(-n2ncc3cc(C)c(C4CCNCC4(C)O)cc32)n1.

What is the InChIKey of methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol?

The InChIKey is RBWUOEVURHWNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2.CH4/c1-14-6-16-10-26-30(21(16)8-19(14)20-4-5-25-13-24(20,3)31)23-9-22(27-15(2)28-23)29-11-18-7-17(29)12-32-18;/h6,8-10,17-18,20,25,31H,4-5,7,11-13H2,1-3H3;1H4.

What are the key properties of methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol?

methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol has a molecular weight of 450.59 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methane;3-methyl-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol is sourced from PubChem (CID 160581893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).