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

C30H33N7O2 — CID 118413967

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

4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413967) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is 4-[4-[4-(3-ethoxy-4-methylphenyl)-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-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 118413967
• Molecular Formula: C30H33N7O2
• Molecular Weight: 523.64 g/mol
• Exact Mass: 523.27
• IUPAC Name: 4-[4-[4-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: CCOc1cc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccnc(OC)c6)cc45)CC3)[nH]c2C)ccc1C
• InChI: InChI=1S/C30H33N7O2/c1-5-39-25-14-22(7-6-18(25)2)27-19(3)34-28(36-27)20-9-12-37(13-10-20)30-23-16-24(35-29(23)32-17-33-30)21-8-11-31-26(15-21)38-4/h6-8,11,14-17,20H,5,9-10,12-13H2,1-4H3,(H,34,36)(H,32,33,35)
• InChIKey: SEKCWFSFQJWYMQ-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 104.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.64
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-ethoxy-4-methylphenyl)-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-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 118413967) is 4-[4-[4-(3-ethoxy-4-methylphenyl)-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-(3-ethoxy-4-methylphenyl)-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-(3-ethoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine is CCOc1cc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccnc(OC)c6)cc45)CC3)[nH]c2C)ccc1C.

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

The InChIKey is SEKCWFSFQJWYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-5-39-25-14-22(7-6-18(25)2)27-19(3)34-28(36-27)20-9-12-37(13-10-20)30-23-16-24(35-29(23)32-17-33-30)21-8-11-31-26(15-21)38-4/h6-8,11,14-17,20H,5,9-10,12-13H2,1-4H3,(H,34,36)(H,32,33,35).

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

4-[4-[4-(3-ethoxy-4-methylphenyl)-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 523.64 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(3-ethoxy-4-methylphenyl)-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 118413967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).