N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine

C22H23N5O — CID 69146622

IUPACN',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1ccc2ncc(-c3ccc(Oc4ccccc4)cc3)n2n1
InChIInChI=1S/C22H23N5O/c1-26(2)15-14-23-21-12-13-22-24-16-20(27(22)25-21)17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,23,25)
InChIKeyIAKPDJHYYUYUDM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.16
Rot. Bonds7

About N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine (PubChem CID 69146622) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine
PubChem CID69146622
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1ccc2ncc(-c3ccc(Oc4ccccc4)cc3)n2n1
InChIInChI=1S/C22H23N5O/c1-26(2)15-14-23-21-12-13-22-24-16-20(27(22)25-21)17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,23,25)
InChIKeyIAKPDJHYYUYUDM-UHFFFAOYSA-N
XLogP4.16
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine (CID 69146622) is N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine is CN(C)CCNc1ccc2ncc(-c3ccc(Oc4ccccc4)cc3)n2n1.
What is the InChIKey of N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine?
The InChIKey is IAKPDJHYYUYUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26(2)15-14-23-21-12-13-22-24-16-20(27(22)25-21)17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,23,25).
What are the key properties of N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine has a molecular weight of 373.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 69146622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).