N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide

C54H59BrN20O2 — CID 157493442

About N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide

N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide (PubChem CID 157493442) has the molecular formula C54H59BrN20O2 and a molecular weight of 1100.11 g/mol. Its IUPAC name is N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide
• PubChem CID: 157493442
• Molecular Formula: C54H59BrN20O2
• Molecular Weight: 1100.11 g/mol
• Exact Mass: 1098.43
• IUPAC Name: N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide
• SMILES: CC(=O)Nc1cc(-c2ccnc(Br)c2)nc(-n2nc(C)cc2C)n1.CC(=O)Nc1cc(-c2cncc(N3CCCC3)c2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(N)cc(-c3cncc(N4CCCC4)c3)n2)n1
• InChI: InChI=1S/C20H23N7O.C18H21N7.C16H15BrN6O/c1-13-8-14(2)27(25-13)20-23-18(10-19(24-20)22-15(3)28)16-9-17(12-21-11-16)26-6-4-5-7-26;1-12-7-13(2)25(23-12)18-21-16(9-17(19)22-18)14-8-15(11-20-10-14)24-5-3-4-6-24;1-9-6-10(2)23(22-9)16-20-13(8-15(21-16)19-11(3)24)12-4-5-18-14(17)7-12/h8-12H,4-7H2,1-3H3,(H,22,23,24,28);7-11H,3-6H2,1-2H3,(H2,19,21,22);4-8H,1-3H3,(H,19,20,21,24)
• InChIKey: BXNVGAYSUCJSFY-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 260.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.11
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide?

The IUPAC name of N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide (CID 157493442) is N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide?

The canonical SMILES for N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2ccnc(Br)c2)nc(-n2nc(C)cc2C)n1.CC(=O)Nc1cc(-c2cncc(N3CCCC3)c2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(N)cc(-c3cncc(N4CCCC4)c3)n2)n1.

What is the InChIKey of N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide?

The InChIKey is BXNVGAYSUCJSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O.C18H21N7.C16H15BrN6O/c1-13-8-14(2)27(25-13)20-23-18(10-19(24-20)22-15(3)28)16-9-17(12-21-11-16)26-6-4-5-7-26;1-12-7-13(2)25(23-12)18-21-16(9-17(19)22-18)14-8-15(11-20-10-14)24-5-3-4-6-24;1-9-6-10(2)23(22-9)16-20-13(8-15(21-16)19-11(3)24)12-4-5-18-14(17)7-12/h8-12H,4-7H2,1-3H3,(H,22,23,24,28);7-11H,3-6H2,1-2H3,(H2,19,21,22);4-8H,1-3H3,(H,19,20,21,24).

What are the key properties of N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide?

N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide has a molecular weight of 1100.11 g/mol, XLogP of 8.49, 10 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-bromo-4-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 157493442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).