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

C19H18ClN5 — CID 71227766

IUPAC4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C19H18ClN5/c20-15-3-1-2-14(10-15)17-12-22-19-9-8-18(24-25(17)19)23-16-6-4-13(11-21)5-7-16/h1-3,8-10,12-13,16H,4-7H2,(H,23,24)
InChIKeyIALLAFCBZHMLLB-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.54
Rot. Bonds3

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

4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile (PubChem CID 71227766) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile
PubChem CID71227766
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC Name4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C19H18ClN5/c20-15-3-1-2-14(10-15)17-12-22-19-9-8-18(24-25(17)19)23-16-6-4-13(11-21)5-7-16/h1-3,8-10,12-13,16H,4-7H2,(H,23,24)
InChIKeyIALLAFCBZHMLLB-UHFFFAOYSA-N
XLogP4.54
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.54
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]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile (CID 71227766) is 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile is N#CC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.
What is the InChIKey of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile?
The InChIKey is IALLAFCBZHMLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c20-15-3-1-2-14(10-15)17-12-22-19-9-8-18(24-25(17)19)23-16-6-4-13(11-21)5-7-16/h1-3,8-10,12-13,16H,4-7H2,(H,23,24).
What are the key properties of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile?
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carbonitrile has a molecular weight of 351.84 g/mol, XLogP of 4.54, 3 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]cyclohexane-1-carbonitrile is sourced from PubChem (CID 71227766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).