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

C27H26FN7O — CID 118356346

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

4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118356346) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 118356346
• Molecular Formula: C27H26FN7O
• Molecular Weight: 483.55 g/mol
• Exact Mass: 483.22
• IUPAC Name: 4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1
• InChI: InChI=1S/C27H26FN7O/c1-16-24(17-3-5-20(28)6-4-17)34-25(32-16)18-8-11-35(12-9-18)27-21-14-22(33-26(21)30-15-31-27)19-7-10-29-23(13-19)36-2/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,34)(H,30,31,33)
• InChIKey: JPYOIJIKLWDCIU-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 95.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.55
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 118356346) is 4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine.

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

The canonical SMILES for 4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine is COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.

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

The InChIKey is JPYOIJIKLWDCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-16-24(17-3-5-20(28)6-4-17)34-25(32-16)18-8-11-35(12-9-18)27-21-14-22(33-26(21)30-15-31-27)19-7-10-29-23(13-19)36-2/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,34)(H,30,31,33).

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

4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 483.55 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118356346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).