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

C32H35FN8O2 — CID 118413822

About 4-[5-[4-[4-[4-(3-fluoro-4-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-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 118413822) has the molecular formula C32H35FN8O2 and a molecular weight of 582.68 g/mol. Its IUPAC name is 4-[5-[4-[4-[4-(3-fluoro-4-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-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
• PubChem CID: 118413822
• Molecular Formula: C32H35FN8O2
• Molecular Weight: 582.68 g/mol
• Exact Mass: 582.29
• IUPAC Name: 4-[5-[4-[4-[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
• SMILES: COc1ccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6ccc(N7CCOCC7)nc6)cc45)CC3)[nH]c2C)cc1F
• InChI: InChI=1S/C32H35FN8O2/c1-20-28(21-4-6-26(42-3)24(33)16-21)39-31(37-20)32(2)8-10-41(11-9-32)30-23-17-25(38-29(23)35-19-36-30)22-5-7-27(34-18-22)40-12-14-43-15-13-40/h4-7,16-19H,8-15H2,1-3H3,(H,37,39)(H,35,36,38)
• InChIKey: LTXWEMUCCKYWEN-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 108.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.68
LogP ≤ 5	5.26
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-fluoro-4-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-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 118413822) is 4-[5-[4-[4-[4-(3-fluoro-4-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-fluoro-4-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-fluoro-4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is COc1ccc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(-c6ccc(N7CCOCC7)nc6)cc45)CC3)[nH]c2C)cc1F.

What is the InChIKey of 4-[5-[4-[4-[4-(3-fluoro-4-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 LTXWEMUCCKYWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN8O2/c1-20-28(21-4-6-26(42-3)24(33)16-21)39-31(37-20)32(2)8-10-41(11-9-32)30-23-17-25(38-29(23)35-19-36-30)22-5-7-27(34-18-22)40-12-14-43-15-13-40/h4-7,16-19H,8-15H2,1-3H3,(H,37,39)(H,35,36,38).

What are the key properties of 4-[5-[4-[4-[4-(3-fluoro-4-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-fluoro-4-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 582.68 g/mol, XLogP of 5.26, 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-fluoro-4-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 118413822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).