[4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol

C27H36N6O4 — CID 135262637

About [4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol

[4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol (PubChem CID 135262637) has the molecular formula C27H36N6O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is [4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

• Compound Name: [4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol
• PubChem CID: 135262637
• Molecular Formula: C27H36N6O4
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.28
• IUPAC Name: [4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol
• SMILES: COc1nc(N2CC(CO)OCC2C)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1
• InChI: InChI=1S/C27H36N6O4/c1-17-8-20-11-28-33(24(20)9-23(17)19-4-6-31(7-5-19)21-15-36-16-21)26-10-25(29-27(30-26)35-3)32-12-22(13-34)37-14-18(32)2/h8-11,18-19,21-22,34H,4-7,12-16H2,1-3H3
• InChIKey: WXCYSMBHSKFAFH-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 98.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of [4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol (CID 135262637) is [4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol.

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

The canonical SMILES for [4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol is COc1nc(N2CC(CO)OCC2C)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1.

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

The InChIKey is WXCYSMBHSKFAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4/c1-17-8-20-11-28-33(24(20)9-23(17)19-4-6-31(7-5-19)21-15-36-16-21)26-10-25(29-27(30-26)35-3)32-12-22(13-34)37-14-18(32)2/h8-11,18-19,21-22,34H,4-7,12-16H2,1-3H3.

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

[4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 508.62 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 135262637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).