N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline

C21H20N4O2S — CID 90670282

IUPACN,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline
SMILESCN(C)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1
InChIInChI=1S/C21H20N4O2S/c1-24(2)17-6-4-5-16(13-17)19-11-12-21-22-14-20(25(21)23-19)15-7-9-18(10-8-15)28(3,26)27/h4-14H,1-3H3
InChIKeyFBUQPLPRSQLEIG-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.53
Rot. Bonds4

About N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline

N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline (PubChem CID 90670282) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline
PubChem CID90670282
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline
SMILESCN(C)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1
InChIInChI=1S/C21H20N4O2S/c1-24(2)17-6-4-5-16(13-17)19-11-12-21-22-14-20(25(21)23-19)15-7-9-18(10-8-15)28(3,26)27/h4-14H,1-3H3
InChIKeyFBUQPLPRSQLEIG-UHFFFAOYSA-N
XLogP3.53
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline (CID 90670282) is N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline is CN(C)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline?
The InChIKey is FBUQPLPRSQLEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-24(2)17-6-4-5-16(13-17)19-11-12-21-22-14-20(25(21)23-19)15-7-9-18(10-8-15)28(3,26)27/h4-14H,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline?
N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline has a molecular weight of 392.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]aniline is sourced from PubChem (CID 90670282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).