(2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine

C26H34N6O2 — CID 126485757

About (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine

(2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 126485757) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine
• PubChem CID: 126485757
• Molecular Formula: C26H34N6O2
• Molecular Weight: 462.60 g/mol
• Exact Mass: 462.27
• IUPAC Name: (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine
• SMILES: Cc1nc(N2CCO[C@@H](C)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1
• InChI: InChI=1S/C26H34N6O2/c1-17-10-21-13-27-32(26-12-25(28-19(3)29-26)31-8-9-34-18(2)14-31)24(21)11-23(17)20-4-6-30(7-5-20)22-15-33-16-22/h10-13,18,20,22H,4-9,14-16H2,1-3H3/t18-/m0/s1
• InChIKey: GJRNISKCBZHDNK-SFHVURJKSA-N
• XLogP: 3.24
• TPSA: 68.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.60
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine?

The IUPAC name of (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine (CID 126485757) is (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine?

The canonical SMILES for (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine is Cc1nc(N2CCO[C@@H](C)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1.

What is the InChIKey of (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine?

The InChIKey is GJRNISKCBZHDNK-SFHVURJKSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-17-10-21-13-27-32(26-12-25(28-19(3)29-26)31-8-9-34-18(2)14-31)24(21)11-23(17)20-4-6-30(7-5-20)22-15-33-16-22/h10-13,18,20,22H,4-9,14-16H2,1-3H3/t18-/m0/s1.

What are the key properties of (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine?

(2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 462.60 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 126485757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).