1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine

C22H22F4N6O — CID 170594036

IUPAC1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCC(N(C)C)CC5)oc4c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C22H22F4N6O/c1-12-11-32-20(27-12)15(22(24,25)26)10-17(29-32)13-8-16(23)19-18(9-13)33-21(28-19)31-6-4-14(5-7-31)30(2)3/h8-11,14H,4-7H2,1-3H3
InChIKeyUMYPQGUZHGXSRE-UHFFFAOYSA-N
MW462.45 g/mol
LogP4.53
Rot. Bonds3

About 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine

1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 170594036) has the molecular formula C22H22F4N6O and a molecular weight of 462.45 g/mol. Its IUPAC name is 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID170594036
Molecular FormulaC22H22F4N6O
Molecular Weight462.45 g/mol
Exact Mass462.18
IUPAC Name1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCC(N(C)C)CC5)oc4c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C22H22F4N6O/c1-12-11-32-20(27-12)15(22(24,25)26)10-17(29-32)13-8-16(23)19-18(9-13)33-21(28-19)31-6-4-14(5-7-31)30(2)3/h8-11,14H,4-7H2,1-3H3
InChIKeyUMYPQGUZHGXSRE-UHFFFAOYSA-N
XLogP4.53
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-6-methyl-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 10457101
cis-N-(4-(4-amino-1-(4-(4-methylpiperazin-1-yl)cyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)benzo[d]oxazol-2-amine
CID 20817086
US10172858, Table 1.4
CID 46195104
2-(4-Piperidin-1-ylpiperidin-1-yl)-6-pyrazolo[1,5-a]pyridin-7-yl-[1,3]oxazolo[4,5-b]pyridine
CID 57327814
1-[4-(1,3-Benzoxazol-2-yl)piperidin-1-yl]-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]ethanone
CID 59472771
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
US9580432, Example 12
CID 90647177
2-(4-fluorophenyl)-1-[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-yl]ethanone
CID 53316728
(4-Fluorophenyl)-[5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methanone
CID 66856924
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 50991340
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 58008660
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one
CID 58008743

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine (CID 170594036) is 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine is Cc1cn2nc(-c3cc(F)c4nc(N5CCC(N(C)C)CC5)oc4c3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is UMYPQGUZHGXSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N6O/c1-12-11-32-20(27-12)15(22(24,25)26)10-17(29-32)13-8-16(23)19-18(9-13)33-21(28-19)31-6-4-14(5-7-31)30(2)3/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine?
1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 462.45 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 170594036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).