3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

C23H24FN7 — CID 66548923

IUPAC3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ccccn5)c(F)c4)n3n2)CC1
InChIInChI=1S/C23H24FN7/c1-30-12-9-17(10-13-30)27-22-7-8-23-26-15-20(31(23)29-22)16-5-6-19(18(24)14-16)28-21-4-2-3-11-25-21/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,25,28)(H,27,29)
InChIKeyCRCYUNCQSDSJIU-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.18
Rot. Bonds5

About 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66548923) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66548923
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC Name3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ccccn5)c(F)c4)n3n2)CC1
InChIInChI=1S/C23H24FN7/c1-30-12-9-17(10-13-30)27-22-7-8-23-26-15-20(31(23)29-22)16-5-6-19(18(24)14-16)28-21-4-2-3-11-25-21/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,25,28)(H,27,29)
InChIKeyCRCYUNCQSDSJIU-UHFFFAOYSA-N
XLogP4.18
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-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-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 66549109
N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine
CID 66550306
N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 53357958
3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 53357956
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 24822199
3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;hydrochloride
CID 137331860
trans-(1R,4R)-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cycloheptan-1-ol
CID 163304070
3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine
CID 144699049
4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923073
5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine
CID 134158090

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 66548923) is 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is CN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ccccn5)c(F)c4)n3n2)CC1.
What is the InChIKey of 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CRCYUNCQSDSJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-30-12-9-17(10-13-30)27-22-7-8-23-26-15-20(31(23)29-22)16-5-6-19(18(24)14-16)28-21-4-2-3-11-25-21/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,25,28)(H,27,29).
What are the key properties of 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 417.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66548923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).