2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile

C23H19FN4O2 — CID 24946100

IUPAC2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4ccc(CC#N)c(F)c4)n3n2)cc1OC
InChIInChI=1S/C23H19FN4O2/c1-14-23(17-5-4-15(10-11-25)18(24)12-17)28-22(26-14)9-7-19(27-28)16-6-8-20(29-2)21(13-16)30-3/h4-9,12-13H,10H2,1-3H3
InChIKeyMFBZMJGVONEMBG-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.59
Rot. Bonds5

About 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile

2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile (PubChem CID 24946100) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile
PubChem CID24946100
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4ccc(CC#N)c(F)c4)n3n2)cc1OC
InChIInChI=1S/C23H19FN4O2/c1-14-23(17-5-4-15(10-11-25)18(24)12-17)28-22(26-14)9-7-19(27-28)16-6-8-20(29-2)21(13-16)30-3/h4-9,12-13H,10H2,1-3H3
InChIKeyMFBZMJGVONEMBG-UHFFFAOYSA-N
XLogP4.59
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
CID 141201904
5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 25121787
6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 24947899
3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
CID 24947525
3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 86648174
3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 24946965
1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82453268
1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 68671543
5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 59606628
tert-butyl N-[3-[4-[3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]propyl]carbamate
CID 24948655
2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
4-[3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 134143976

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile?
The IUPAC name of 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile (CID 24946100) is 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile.
What is the SMILES notation for 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile?
The canonical SMILES for 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile is COc1ccc(-c2ccc3nc(C)c(-c4ccc(CC#N)c(F)c4)n3n2)cc1OC.
What is the InChIKey of 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile?
The InChIKey is MFBZMJGVONEMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-14-23(17-5-4-15(10-11-25)18(24)12-17)28-22(26-14)9-7-19(27-28)16-6-8-20(29-2)21(13-16)30-3/h4-9,12-13H,10H2,1-3H3.
What are the key properties of 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile?
2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile has a molecular weight of 402.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile is sourced from PubChem (CID 24946100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).