1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea

C24H34N6O3 — CID 93157333

About 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea

1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea (PubChem CID 93157333) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

• Compound Name: 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea
• PubChem CID: 93157333
• Molecular Formula: C24H34N6O3
• Molecular Weight: 454.58 g/mol
• Exact Mass: 454.27
• IUPAC Name: 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea
• SMILES: CCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)[C@H](C)CC
• InChI: InChI=1S/C24H34N6O3/c1-5-18(3)30(24(32)25-6-2)17-23(31)29-14-12-28(13-15-29)22-11-10-21(26-27-22)19-8-7-9-20(16-19)33-4/h7-11,16,18H,5-6,12-15,17H2,1-4H3,(H,25,32)/t18-/m1/s1
• InChIKey: JXVOWARYPSUERP-GOSISDBHSA-N
• XLogP: 2.63
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.58
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea?

The IUPAC name of 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea (CID 93157333) is 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea.

What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea?

The canonical SMILES for 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea is CCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)[C@H](C)CC.

What is the InChIKey of 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea?

The InChIKey is JXVOWARYPSUERP-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-5-18(3)30(24(32)25-6-2)17-23(31)29-14-12-28(13-15-29)22-11-10-21(26-27-22)19-8-7-9-20(16-19)33-4/h7-11,16,18H,5-6,12-15,17H2,1-4H3,(H,25,32)/t18-/m1/s1.

What are the key properties of 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea?

1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 454.58 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-butan-2-yl]-3-ethyl-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 93157333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).