4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile

C20H20ClN5 — CID 71235273

IUPAC4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(CNc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C20H20ClN5/c21-17-3-1-2-16(10-17)18-13-24-20-9-8-19(25-26(18)20)23-12-15-6-4-14(11-22)5-7-15/h1-3,8-10,13-15H,4-7,12H2,(H,23,25)
InChIKeyRJVDYCCMTHDJJV-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.79
Rot. Bonds4

About 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile

4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile (PubChem CID 71235273) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile
PubChem CID71235273
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC Name4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(CNc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C20H20ClN5/c21-17-3-1-2-16(10-17)18-13-24-20-9-8-19(25-26(18)20)23-12-15-6-4-14(11-22)5-7-15/h1-3,8-10,13-15H,4-7,12H2,(H,23,25)
InChIKeyRJVDYCCMTHDJJV-UHFFFAOYSA-N
XLogP4.79
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile (CID 71235273) is 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile is N#CC1CCC(CNc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.
What is the InChIKey of 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile?
The InChIKey is RJVDYCCMTHDJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c21-17-3-1-2-16(10-17)18-13-24-20-9-8-19(25-26(18)20)23-12-15-6-4-14(11-22)5-7-15/h1-3,8-10,13-15H,4-7,12H2,(H,23,25).
What are the key properties of 4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile?
4-[[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexane-1-carbonitrile has a molecular weight of 365.87 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 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]methyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71235273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).