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

C33H37N7 — CID 149389142

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

4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-cyclopenta[d]pyrimidine (PubChem CID 149389142) has the molecular formula C33H37N7 and a molecular weight of 531.71 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-cyclopenta[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-cyclopenta[d]pyrimidine
• PubChem CID: 149389142
• Molecular Formula: C33H37N7
• Molecular Weight: 531.71 g/mol
• Exact Mass: 531.31
• IUPAC Name: 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-cyclopenta[d]pyrimidine
• SMILES: Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3ccnc(N5CCC(C)CC5)c3)C4)CC2)nc1-c1ccccc1
• InChI: InChI=1S/C33H37N7/c1-22-9-14-39(15-10-22)30-20-26(8-13-34-30)27-18-28-29(19-27)35-21-36-33(28)40-16-11-25(12-17-40)32-37-23(2)31(38-32)24-6-4-3-5-7-24/h3-8,13,18,20-22,25H,9-12,14-17,19H2,1-2H3,(H,37,38)
• InChIKey: YNEKKNNTBZGSCO-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 73.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.71
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
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-cyclopenta[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-cyclopenta[d]pyrimidine (CID 149389142) is 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-cyclopenta[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-cyclopenta[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-cyclopenta[d]pyrimidine is Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3ccnc(N5CCC(C)CC5)c3)C4)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-cyclopenta[d]pyrimidine?

The InChIKey is YNEKKNNTBZGSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7/c1-22-9-14-39(15-10-22)30-20-26(8-13-34-30)27-18-28-29(19-27)35-21-36-33(28)40-16-11-25(12-17-40)32-37-23(2)31(38-32)24-6-4-3-5-7-24/h3-8,13,18,20-22,25H,9-12,14-17,19H2,1-2H3,(H,37,38).

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-cyclopenta[d]pyrimidine?

4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 531.71 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 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-cyclopenta[d]pyrimidine is sourced from PubChem (CID 149389142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).