1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea

C21H25N5O2 — CID 71805315

IUPAC1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(-n2ccc3ccccc32)ccc1=O)NC1CCCCC1
InChIInChI=1S/C21H25N5O2/c27-20-11-10-19(25-14-12-16-6-4-5-9-18(16)25)24-26(20)15-13-22-21(28)23-17-7-2-1-3-8-17/h4-6,9-12,14,17H,1-3,7-8,13,15H2,(H2,22,23,28)
InChIKeyGDHOCDBEZWGBJN-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.82
Rot. Bonds5

About 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea

1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea (PubChem CID 71805315) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea
PubChem CID71805315
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(-n2ccc3ccccc32)ccc1=O)NC1CCCCC1
InChIInChI=1S/C21H25N5O2/c27-20-11-10-19(25-14-12-16-6-4-5-9-18(16)25)24-26(20)15-13-22-21(28)23-17-7-2-1-3-8-17/h4-6,9-12,14,17H,1-3,7-8,13,15H2,(H2,22,23,28)
InChIKeyGDHOCDBEZWGBJN-UHFFFAOYSA-N
XLogP2.82
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea (CID 71805315) is 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea is O=C(NCCn1nc(-n2ccc3ccccc32)ccc1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea?
The InChIKey is GDHOCDBEZWGBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20-11-10-19(25-14-12-16-6-4-5-9-18(16)25)24-26(20)15-13-22-21(28)23-17-7-2-1-3-8-17/h4-6,9-12,14,17H,1-3,7-8,13,15H2,(H2,22,23,28).
What are the key properties of 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea?
1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea has a molecular weight of 379.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 71805315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).