1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea

C26H38N6O4 — CID 46149015

About 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea

1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea (PubChem CID 46149015) has the molecular formula C26H38N6O4 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea.

Molecular Properties

• Compound Name: 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea
• PubChem CID: 46149015
• Molecular Formula: C26H38N6O4
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.30
• IUPAC Name: 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea
• SMILES: CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)CC(C)C
• InChI: InChI=1S/C26H38N6O4/c1-6-11-27-26(34)32(17-19(2)3)18-25(33)31-14-12-30(13-15-31)24-10-9-22(28-29-24)21-8-7-20(35-4)16-23(21)36-5/h7-10,16,19H,6,11-15,17-18H2,1-5H3,(H,27,34)
• InChIKey: TWWVQVUKHOMQLA-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 100.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea?

The IUPAC name of 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea (CID 46149015) is 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea.

What is the SMILES notation for 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea?

The canonical SMILES for 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea is CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)CC(C)C.

What is the InChIKey of 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea?

The InChIKey is TWWVQVUKHOMQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O4/c1-6-11-27-26(34)32(17-19(2)3)18-25(33)31-14-12-30(13-15-31)24-10-9-22(28-29-24)21-8-7-20(35-4)16-23(21)36-5/h7-10,16,19H,6,11-15,17-18H2,1-5H3,(H,27,34).

What are the key properties of 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea?

1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea has a molecular weight of 498.63 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea is sourced from PubChem (CID 46149015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).