N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol

C25H35F3N4O2 — CID 144515426

IUPACN-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol
SMILESCC(C)O.CCC.FC(F)(F)Oc1cccc(-c2cnc3ccc(NC4CCCCC4)nn23)c1
InChIInChI=1S/C19H19F3N4O.C3H8O.C3H8/c20-19(21,22)27-15-8-4-5-13(11-15)16-12-23-18-10-9-17(25-26(16)18)24-14-6-2-1-3-7-14;1-3(2)4;1-3-2/h4-5,8-12,14H,1-3,6-7H2,(H,24,25);3-4H,1-2H3;3H2,1-2H3
InChIKeyGOHOSSVIKPRLIF-UHFFFAOYSA-N
MW480.58 g/mol
LogP6.84
Rot. Bonds4

About N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol

N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol (PubChem CID 144515426) has the molecular formula C25H35F3N4O2 and a molecular weight of 480.58 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol
PubChem CID144515426
Molecular FormulaC25H35F3N4O2
Molecular Weight480.58 g/mol
Exact Mass480.27
IUPAC NameN-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol
SMILESCC(C)O.CCC.FC(F)(F)Oc1cccc(-c2cnc3ccc(NC4CCCCC4)nn23)c1
InChIInChI=1S/C19H19F3N4O.C3H8O.C3H8/c20-19(21,22)27-15-8-4-5-13(11-15)16-12-23-18-10-9-17(25-26(16)18)24-14-6-2-1-3-7-14;1-3(2)4;1-3-2/h4-5,8-12,14H,1-3,6-7H2,(H,24,25);3-4H,1-2H3;3H2,1-2H3
InChIKeyGOHOSSVIKPRLIF-UHFFFAOYSA-N
XLogP6.84
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.58
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol 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

Bms-690514
CID 11349170
Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
AZ-Tak1
CID 71543324
(2S)-1-[4-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57390669
(2S)-1-[4-[2-fluoro-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57392475
(2S)-1-[4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57394024
(S)-1-(4-{4-[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperazin-1-yl)-propan-2-ol
CID 57399414
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
Lmtk3-IN-1
CID 138454301
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol?
The IUPAC name of N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol (CID 144515426) is N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol.
What is the SMILES notation for N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol?
The canonical SMILES for N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol is CC(C)O.CCC.FC(F)(F)Oc1cccc(-c2cnc3ccc(NC4CCCCC4)nn23)c1.
What is the InChIKey of N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol?
The InChIKey is GOHOSSVIKPRLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O.C3H8O.C3H8/c20-19(21,22)27-15-8-4-5-13(11-15)16-12-23-18-10-9-17(25-26(16)18)24-14-6-2-1-3-7-14;1-3(2)4;1-3-2/h4-5,8-12,14H,1-3,6-7H2,(H,24,25);3-4H,1-2H3;3H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol?
N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol has a molecular weight of 480.58 g/mol, XLogP of 6.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;propane;propan-2-ol is sourced from PubChem (CID 144515426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).