4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide

C24H31N7O2 — CID 55835823

About 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide

4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 55835823) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
• PubChem CID: 55835823
• Molecular Formula: C24H31N7O2
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.25
• IUPAC Name: 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
• SMILES: Cc1cc(N2CCN(C(=O)Nc3cccc(OCCn4cccn4)c3)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C24H31N7O2/c1-18(2)23-26-19(3)16-22(28-23)29-10-12-30(13-11-29)24(32)27-20-6-4-7-21(17-20)33-15-14-31-9-5-8-25-31/h4-9,16-18H,10-15H2,1-3H3,(H,27,32)
• InChIKey: BDEFYEDARZQCOL-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 88.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?

The IUPAC name of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide (CID 55835823) is 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?

The canonical SMILES for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3cccc(OCCn4cccn4)c3)CC2)nc(C(C)C)n1.

What is the InChIKey of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?

The InChIKey is BDEFYEDARZQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-18(2)23-26-19(3)16-22(28-23)29-10-12-30(13-11-29)24(32)27-20-6-4-7-21(17-20)33-15-14-31-9-5-8-25-31/h4-9,16-18H,10-15H2,1-3H3,(H,27,32).

What are the key properties of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?

4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55835823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).