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

C32H36N8 — CID 118413842

About 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine

4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413842) has the molecular formula C32H36N8 and a molecular weight of 532.70 g/mol. Its IUPAC name is 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 118413842
• Molecular Formula: C32H36N8
• Molecular Weight: 532.70 g/mol
• Exact Mass: 532.31
• IUPAC Name: 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: Cc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5ccnc(N6CCC(C)CC6)c5)cc34)CC2)nc1-c1ccccc1
• InChI: InChI=1S/C32H36N8/c1-21-9-14-39(15-10-21)28-18-25(8-13-33-28)27-19-26-31(37-27)34-20-35-32(26)40-16-11-24(12-17-40)30-36-22(2)29(38-30)23-6-4-3-5-7-23/h3-8,13,18-21,24H,9-12,14-17H2,1-2H3,(H,36,38)(H,34,35,37)
• InChIKey: HJJONXZHGLJYSH-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 89.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.70
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413842) is 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine.

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

The canonical SMILES for 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5ccnc(N6CCC(C)CC6)c5)cc34)CC2)nc1-c1ccccc1.

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

The InChIKey is HJJONXZHGLJYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8/c1-21-9-14-39(15-10-21)28-18-25(8-13-33-28)27-19-26-31(37-27)34-20-35-32(26)40-16-11-24(12-17-40)30-36-22(2)29(38-30)23-6-4-3-5-7-23/h3-8,13,18-21,24H,9-12,14-17H2,1-2H3,(H,36,38)(H,34,35,37).

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

4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 532.70 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).