N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C26H26N6O4 — CID 136615165

About N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 136615165) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 136615165
• Molecular Formula: C26H26N6O4
• Molecular Weight: 486.53 g/mol
• Exact Mass: 486.20
• IUPAC Name: N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)C2CC(=O)N(c3cccc(C)c3)C2)[nH]c1=O
• InChI: InChI=1S/C26H26N6O4/c1-4-19-16(3)27-26(29-25(19)35)32-22(13-20(30-32)21-9-6-10-36-21)28-24(34)17-12-23(33)31(14-17)18-8-5-7-15(2)11-18/h5-11,13,17H,4,12,14H2,1-3H3,(H,28,34)(H,27,29,35)
• InChIKey: RRMOZKGDCNDFEP-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 126.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.53
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 136615165) is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)C2CC(=O)N(c3cccc(C)c3)C2)[nH]c1=O.

What is the InChIKey of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is RRMOZKGDCNDFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-4-19-16(3)27-26(29-25(19)35)32-22(13-20(30-32)21-9-6-10-36-21)28-24(34)17-12-23(33)31(14-17)18-8-5-7-15(2)11-18/h5-11,13,17H,4,12,14H2,1-3H3,(H,28,34)(H,27,29,35).

What are the key properties of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136615165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).