[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol

C19H21ClN4O — CID 66597979

IUPAC[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C19H21ClN4O/c20-15-3-1-2-14(10-15)17-11-21-19-9-8-18(23-24(17)19)22-16-6-4-13(12-25)5-7-16/h1-3,8-11,13,16,25H,4-7,12H2,(H,22,23)
InChIKeyNPXUZCITNZHYIZ-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.01
Rot. Bonds4

About [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol

[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol (PubChem CID 66597979) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
PubChem CID66597979
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C19H21ClN4O/c20-15-3-1-2-14(10-15)17-11-21-19-9-8-18(23-24(17)19)22-16-6-4-13(12-25)5-7-16/h1-3,8-11,13,16,25H,4-7,12H2,(H,22,23)
InChIKeyNPXUZCITNZHYIZ-UHFFFAOYSA-N
XLogP4.01
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol 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 [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol (CID 66597979) is [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol is OCC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.
What is the InChIKey of [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol?
The InChIKey is NPXUZCITNZHYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-15-3-1-2-14(10-15)17-11-21-19-9-8-18(23-24(17)19)22-16-6-4-13(12-25)5-7-16/h1-3,8-11,13,16,25H,4-7,12H2,(H,22,23).
What are the key properties of [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol?
[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol has a molecular weight of 356.86 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 66597979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).