4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine

C32H36N8O2 — CID 118414247

About 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine

4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 118414247) has the molecular formula C32H36N8O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
• PubChem CID: 118414247
• Molecular Formula: C32H36N8O2
• Molecular Weight: 564.69 g/mol
• Exact Mass: 564.30
• IUPAC Name: 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
• SMILES: COc1cccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6ccc(N7CCOCC7)nc6)cc45)CC3)[nH]c2C)c1
• InChI: InChI=1S/C32H36N8O2/c1-21-28(22-5-4-6-24(17-22)41-3)38-31(36-21)32(2)9-11-40(12-10-32)30-25-18-26(37-29(25)34-20-35-30)23-7-8-27(33-19-23)39-13-15-42-16-14-39/h4-8,17-20H,9-16H2,1-3H3,(H,36,38)(H,34,35,37)
• InChIKey: SUZIZTJTJTZGJK-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 108.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.69
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?

The IUPAC name of 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 118414247) is 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.

What is the SMILES notation for 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?

The canonical SMILES for 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is COc1cccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6ccc(N7CCOCC7)nc6)cc45)CC3)[nH]c2C)c1.

What is the InChIKey of 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?

The InChIKey is SUZIZTJTJTZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O2/c1-21-28(22-5-4-6-24(17-22)41-3)38-31(36-21)32(2)9-11-40(12-10-32)30-25-18-26(37-29(25)34-20-35-30)23-7-8-27(33-19-23)39-13-15-42-16-14-39/h4-8,17-20H,9-16H2,1-3H3,(H,36,38)(H,34,35,37).

What are the key properties of 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?

4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine has a molecular weight of 564.69 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118414247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).