N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine

C20H19FN8O — CID 90677029

IUPACN-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCN1CC[C@H](Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)C1
InChIInChI=1S/C20H19FN8O/c1-28-8-6-14(12-28)30-18-5-4-17-23-11-16(29(17)27-18)13-9-24-20(25-10-13)26-19-15(21)3-2-7-22-19/h2-5,7,9-11,14H,6,8,12H2,1H3,(H,22,24,25,26)/t14-/m0/s1
InChIKeyQJHLVRVUCGSGKG-AWEZNQCLSA-N
MW406.43 g/mol
LogP2.55
Rot. Bonds5

About N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine

N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 90677029) has the molecular formula C20H19FN8O and a molecular weight of 406.43 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID90677029
Molecular FormulaC20H19FN8O
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC NameN-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCN1CC[C@H](Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)C1
InChIInChI=1S/C20H19FN8O/c1-28-8-6-14(12-28)30-18-5-4-17-23-11-16(29(17)27-18)13-9-24-20(25-10-13)26-19-15(21)3-2-7-22-19/h2-5,7,9-11,14H,6,8,12H2,1H3,(H,22,24,25,26)/t14-/m0/s1
InChIKeyQJHLVRVUCGSGKG-AWEZNQCLSA-N
XLogP2.55
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-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 N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (CID 90677029) is N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is CN1CC[C@H](Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)C1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is QJHLVRVUCGSGKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN8O/c1-28-8-6-14(12-28)30-18-5-4-17-23-11-16(29(17)27-18)13-9-24-20(25-10-13)26-19-15(21)3-2-7-22-19/h2-5,7,9-11,14H,6,8,12H2,1H3,(H,22,24,25,26)/t14-/m0/s1.
What are the key properties of N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 406.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 90677029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).