1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea

C21H27FN6O — CID 113043162

IUPAC1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)NC1CCCCC1
InChIInChI=1S/C21H27FN6O/c22-16-6-8-18(9-7-16)27-12-14-28(15-13-27)20-11-10-19(25-26-20)24-21(29)23-17-4-2-1-3-5-17/h6-11,17H,1-5,12-15H2,(H2,23,24,25,29)
InChIKeyYHIKJJPYYBQANX-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.40
Rot. Bonds4

About 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea

1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea (PubChem CID 113043162) has the molecular formula C21H27FN6O and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea
PubChem CID113043162
Molecular FormulaC21H27FN6O
Molecular Weight398.49 g/mol
Exact Mass398.22
IUPAC Name1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)NC1CCCCC1
InChIInChI=1S/C21H27FN6O/c22-16-6-8-18(9-7-16)27-12-14-28(15-13-27)20-11-10-19(25-26-20)24-21(29)23-17-4-2-1-3-5-17/h6-11,17H,1-5,12-15H2,(H2,23,24,25,29)
InChIKeyYHIKJJPYYBQANX-UHFFFAOYSA-N
XLogP3.40
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369
N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113043147
1-cyclohexyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea
CID 11340510
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea
CID 16621551
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505
1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 18567749
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
CID 133287682
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea (CID 113043162) is 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea is O=C(Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea?
The InChIKey is YHIKJJPYYBQANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O/c22-16-6-8-18(9-7-16)27-12-14-28(15-13-27)20-11-10-19(25-26-20)24-21(29)23-17-4-2-1-3-5-17/h6-11,17H,1-5,12-15H2,(H2,23,24,25,29).
What are the key properties of 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea?
1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea has a molecular weight of 398.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea is sourced from PubChem (CID 113043162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).