N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine

C25H20F4N8O — CID 71451157

IUPACN-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine
SMILESFc1ccc(-c2ccc3nnc(CNc4cc(C(F)(F)F)cc5ncc(N6CCOCC6)nc45)n3n2)cc1
InChIInChI=1S/C25H20F4N8O/c26-17-3-1-15(2-4-17)18-5-6-21-33-34-23(37(21)35-18)14-31-20-12-16(25(27,28)29)11-19-24(20)32-22(13-30-19)36-7-9-38-10-8-36/h1-6,11-13,31H,7-10,14H2
InChIKeyQHKMZNBSSQVFQD-UHFFFAOYSA-N
MW524.48 g/mol
LogP4.34
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine

N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine (PubChem CID 71451157) has the molecular formula C25H20F4N8O and a molecular weight of 524.48 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine
PubChem CID71451157
Molecular FormulaC25H20F4N8O
Molecular Weight524.48 g/mol
Exact Mass524.17
IUPAC NameN-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine
SMILESFc1ccc(-c2ccc3nnc(CNc4cc(C(F)(F)F)cc5ncc(N6CCOCC6)nc45)n3n2)cc1
InChIInChI=1S/C25H20F4N8O/c26-17-3-1-15(2-4-17)18-5-6-21-33-34-23(37(21)35-18)14-31-20-12-16(25(27,28)29)11-19-24(20)32-22(13-30-19)36-7-9-38-10-8-36/h1-6,11-13,31H,7-10,14H2
InChIKeyQHKMZNBSSQVFQD-UHFFFAOYSA-N
XLogP4.34
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-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

Ldn-212854
CID 60182388
Bay-41-8543
CID 9953906
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
3-(2-benzyl-1H-benzo[d]imidazol-6-yl)-1-((trans)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218685
5-[1-(1-Benzyl-piperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-1,3-dihydro-benzoimidazol-2-one
CID 44520817
US9266891, III-19
CID 90161075
8-[5-(Difluoromethyl)-3-pyridinyl]-1-(2,3,6,7-tetrahydrooxepin-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 162366965
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-pyridin-3-ylurea
CID 25195682
1-[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-4-ylurea
CID 44187604
1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-3-ylurea
CID 44187783
1-(4-(3-cyclopropyl-7-morpholino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl)-3-(pyridin-4-yl)urea
CID 44188840

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine?
The IUPAC name of N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine (CID 71451157) is N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine?
The canonical SMILES for N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine is Fc1ccc(-c2ccc3nnc(CNc4cc(C(F)(F)F)cc5ncc(N6CCOCC6)nc45)n3n2)cc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine?
The InChIKey is QHKMZNBSSQVFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N8O/c26-17-3-1-15(2-4-17)18-5-6-21-33-34-23(37(21)35-18)14-31-20-12-16(25(27,28)29)11-19-24(20)32-22(13-30-19)36-7-9-38-10-8-36/h1-6,11-13,31H,7-10,14H2.
What are the key properties of N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine?
N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine has a molecular weight of 524.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-morpholin-4-yl-7-(trifluoromethyl)quinoxalin-5-amine is sourced from PubChem (CID 71451157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).