3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine

C25H28FN9O — CID 66551705

IUPAC3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccnc1Nc1ncc(-c2cnc3ccc(NC4CCC(N5CCOCC5)CC4)nn23)cn1
InChIInChI=1S/C25H28FN9O/c26-20-2-1-9-27-24(20)32-25-29-14-17(15-30-25)21-16-28-23-8-7-22(33-35(21)23)31-18-3-5-19(6-4-18)34-10-12-36-13-11-34/h1-2,7-9,14-16,18-19H,3-6,10-13H2,(H,31,33)(H,27,29,30,32)
InChIKeyDUFJLIPMQNABSH-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.52
Rot. Bonds6

About 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine

3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66551705) has the molecular formula C25H28FN9O and a molecular weight of 489.56 g/mol. Its IUPAC name is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66551705
Molecular FormulaC25H28FN9O
Molecular Weight489.56 g/mol
Exact Mass489.24
IUPAC Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccnc1Nc1ncc(-c2cnc3ccc(NC4CCC(N5CCOCC5)CC4)nn23)cn1
InChIInChI=1S/C25H28FN9O/c26-20-2-1-9-27-24(20)32-25-29-14-17(15-30-25)21-16-28-23-8-7-22(33-35(21)23)31-18-3-5-19(6-4-18)34-10-12-36-13-11-34/h1-2,7-9,14-16,18-19H,3-6,10-13H2,(H,31,33)(H,27,29,30,32)
InChIKeyDUFJLIPMQNABSH-UHFFFAOYSA-N
XLogP3.52
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine (CID 66551705) is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine is Fc1cccnc1Nc1ncc(-c2cnc3ccc(NC4CCC(N5CCOCC5)CC4)nn23)cn1.
What is the InChIKey of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is DUFJLIPMQNABSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN9O/c26-20-2-1-9-27-24(20)32-25-29-14-17(15-30-25)21-16-28-23-8-7-22(33-35(21)23)31-18-3-5-19(6-4-18)34-10-12-36-13-11-34/h1-2,7-9,14-16,18-19H,3-6,10-13H2,(H,31,33)(H,27,29,30,32).
What are the key properties of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine?
3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 489.56 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66551705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).