6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C22H26N8O2 — CID 122337587

About 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122337587) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• PubChem CID: 122337587
• Molecular Formula: C22H26N8O2
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.22
• IUPAC Name: 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• SMILES: Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cn4cnc(C5CC5)cc4=O)CC3)ncn2)n1
• InChI: InChI=1S/C22H26N8O2/c1-15-9-16(2)30(26-15)20-11-19(23-13-24-20)27-5-7-28(8-6-27)22(32)12-29-14-25-18(10-21(29)31)17-3-4-17/h9-11,13-14,17H,3-8,12H2,1-2H3
• InChIKey: MMTZDBHLCGHWFM-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 102.04 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The IUPAC name of 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122337587) is 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

What is the SMILES notation for 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The canonical SMILES for 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cn4cnc(C5CC5)cc4=O)CC3)ncn2)n1.

What is the InChIKey of 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The InChIKey is MMTZDBHLCGHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-15-9-16(2)30(26-15)20-11-19(23-13-24-20)27-5-7-28(8-6-27)22(32)12-29-14-25-18(10-21(29)31)17-3-4-17/h9-11,13-14,17H,3-8,12H2,1-2H3.

What are the key properties of 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 434.50 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 122337587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).