N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C26H22N6O3S — CID 136605674

About N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 136605674) has the molecular formula C26H22N6O3S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
• PubChem CID: 136605674
• Molecular Formula: C26H22N6O3S
• Molecular Weight: 498.57 g/mol
• Exact Mass: 498.15
• IUPAC Name: N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c(=O)c1Cc1ccccc1
• InChI: InChI=1S/C26H22N6O3S/c1-15-18(12-16-6-3-2-4-7-16)24(33)29-26(27-15)32-23(14-19(30-32)22-8-5-11-36-22)28-25(34)20-13-21(35-31-20)17-9-10-17/h2-8,11,13-14,17H,9-10,12H2,1H3,(H,28,34)(H,27,29,33)
• InChIKey: VVSGTAQGKBLRJE-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 118.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.57
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 136605674) is N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c(=O)c1Cc1ccccc1.

What is the InChIKey of N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?

The InChIKey is VVSGTAQGKBLRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3S/c1-15-18(12-16-6-3-2-4-7-16)24(33)29-26(27-15)32-23(14-19(30-32)22-8-5-11-36-22)28-25(34)20-13-21(35-31-20)17-9-10-17/h2-8,11,13-14,17H,9-10,12H2,1H3,(H,28,34)(H,27,29,33).

What are the key properties of N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?

N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 498.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 136605674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).