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

C32H34F2N8O — CID 118356314

About 4-[5-[4-[4-[4-[4-(difluoromethyl)phenyl]-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-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 118356314) has the molecular formula C32H34F2N8O and a molecular weight of 584.68 g/mol. Its IUPAC name is 4-[5-[4-[4-[4-[4-(difluoromethyl)phenyl]-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-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
• PubChem CID: 118356314
• Molecular Formula: C32H34F2N8O
• Molecular Weight: 584.68 g/mol
• Exact Mass: 584.28
• IUPAC Name: 4-[5-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
• SMILES: Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc34)CC2)nc1-c1ccc(C(F)F)cc1
• InChI: InChI=1S/C32H34F2N8O/c1-20-27(21-3-5-22(6-4-21)28(33)34)40-31(38-20)32(2)9-11-42(12-10-32)30-24-17-25(39-29(24)36-19-37-30)23-7-8-26(35-18-23)41-13-15-43-16-14-41/h3-8,17-19,28H,9-16H2,1-2H3,(H,38,40)(H,36,37,39)
• InChIKey: QUFWAZNNUPOBJP-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 98.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.68
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-[4-[4-(difluoromethyl)phenyl]-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-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 118356314) is 4-[5-[4-[4-[4-[4-(difluoromethyl)phenyl]-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-[4-(difluoromethyl)phenyl]-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-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc34)CC2)nc1-c1ccc(C(F)F)cc1.

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

The InChIKey is QUFWAZNNUPOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N8O/c1-20-27(21-3-5-22(6-4-21)28(33)34)40-31(38-20)32(2)9-11-42(12-10-32)30-24-17-25(39-29(24)36-19-37-30)23-7-8-26(35-18-23)41-13-15-43-16-14-41/h3-8,17-19,28H,9-16H2,1-2H3,(H,38,40)(H,36,37,39).

What are the key properties of 4-[5-[4-[4-[4-[4-(difluoromethyl)phenyl]-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-[4-(difluoromethyl)phenyl]-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 584.68 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[4-[4-[4-(difluoromethyl)phenyl]-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 118356314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).