3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

C22H28N6O3 — CID 53069605

About 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 53069605) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
• PubChem CID: 53069605
• Molecular Formula: C22H28N6O3
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.22
• IUPAC Name: 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
• SMILES: Cc1ccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCOCC4)ncn3)c2C)o1
• InChI: InChI=1S/C22H28N6O3/c1-15-4-5-18(31-15)13-23-22(29)7-6-19-16(2)26-28(17(19)3)21-12-20(24-14-25-21)27-8-10-30-11-9-27/h4-5,12,14H,6-11,13H2,1-3H3,(H,23,29)
• InChIKey: CKYSHSNJJCHSEY-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 53069605) is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.

What is the SMILES notation for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The canonical SMILES for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCOCC4)ncn3)c2C)o1.

What is the InChIKey of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The InChIKey is CKYSHSNJJCHSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-15-4-5-18(31-15)13-23-22(29)7-6-19-16(2)26-28(17(19)3)21-12-20(24-14-25-21)27-8-10-30-11-9-27/h4-5,12,14H,6-11,13H2,1-3H3,(H,23,29).

What are the key properties of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 424.51 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 53069605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).