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

C26H26N6O5 — CID 136615168

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

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 136615168) has the molecular formula C26H26N6O5 and a molecular weight of 502.53 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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 136615168
• Molecular Formula: C26H26N6O5
• Molecular Weight: 502.53 g/mol
• Exact Mass: 502.20
• IUPAC Name: N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
• SMILES: CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)[nH]c1=O
• InChI: InChI=1S/C26H26N6O5/c1-4-19-15(2)27-26(29-25(19)35)32-22(13-20(30-32)21-6-5-11-37-21)28-24(34)16-12-23(33)31(14-16)17-7-9-18(36-3)10-8-17/h5-11,13,16H,4,12,14H2,1-3H3,(H,28,34)(H,27,29,35)
• InChIKey: VNSSEUMCDIQTJD-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 135.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.53
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 136615168) is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)C2CC(=O)N(c3ccc(OC)cc3)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-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is VNSSEUMCDIQTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O5/c1-4-19-15(2)27-26(29-25(19)35)32-22(13-20(30-32)21-6-5-11-37-21)28-24(34)16-12-23(33)31(14-16)17-7-9-18(36-3)10-8-17/h5-11,13,16H,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-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 502.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136615168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).