1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone

C24H25N7O2 — CID 72944865

About 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone

1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone (PubChem CID 72944865) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
• PubChem CID: 72944865
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• IUPAC Name: 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
• SMILES: CC1CN(C(=O)Cn2cc(-c3cnc(-c4cccc(-c5cnn(C)c5)c4)nc3)cn2)CCO1
• InChI: InChI=1S/C24H25N7O2/c1-17-13-30(6-7-33-17)23(32)16-31-15-22(12-28-31)20-9-25-24(26-10-20)19-5-3-4-18(8-19)21-11-27-29(2)14-21/h3-5,8-12,14-15,17H,6-7,13,16H2,1-2H3
• InChIKey: KCOJQJSUYCCAOV-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 90.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone (CID 72944865) is 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone.

What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone is CC1CN(C(=O)Cn2cc(-c3cnc(-c4cccc(-c5cnn(C)c5)c4)nc3)cn2)CCO1.

What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The InChIKey is KCOJQJSUYCCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-17-13-30(6-7-33-17)23(32)16-31-15-22(12-28-31)20-9-25-24(26-10-20)19-5-3-4-18(8-19)21-11-27-29(2)14-21/h3-5,8-12,14-15,17H,6-7,13,16H2,1-2H3.

What are the key properties of 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone has a molecular weight of 443.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylmorpholin-4-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 72944865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).