[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone

C17H23N5O2 — CID 122158887

IUPAC[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone
SMILESCc1cn2nc(NC3CCN(C(=O)C4CCCOC4)C3)ccc2n1
InChIInChI=1S/C17H23N5O2/c1-12-9-22-16(18-12)5-4-15(20-22)19-14-6-7-21(10-14)17(23)13-3-2-8-24-11-13/h4-5,9,13-14H,2-3,6-8,10-11H2,1H3,(H,19,20)
InChIKeyFVVZUXMOZKNUDD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.48
Rot. Bonds3

About [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone

[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone (PubChem CID 122158887) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone
PubChem CID122158887
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone
SMILESCc1cn2nc(NC3CCN(C(=O)C4CCCOC4)C3)ccc2n1
InChIInChI=1S/C17H23N5O2/c1-12-9-22-16(18-12)5-4-15(20-22)19-14-6-7-21(10-14)17(23)13-3-2-8-24-11-13/h4-5,9,13-14H,2-3,6-8,10-11H2,1H3,(H,19,20)
InChIKeyFVVZUXMOZKNUDD-UHFFFAOYSA-N
XLogP1.48
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone 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

US10166214, Example 46
CID 86294245
2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone
CID 164633897
N-[(3S)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
CID 171359659
3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide
CID 166264766
3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857795
Propan-2-yl 2-[[(3-prop-1-en-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 89802537
propan-2-yl (2S)-2-[[(3-prop-1-en-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 89802538
Propan-2-yl 2-[[(3-ethenylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 89802558
propan-2-yl (2S)-2-[[(3-ethenylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 89802560
tert-butyl (1R,5S)-6-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 117711569
N-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123588022
Tert-butyl 6-(2-imidazo[1,2-b]pyridazin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123839612

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone (CID 122158887) is [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone is Cc1cn2nc(NC3CCN(C(=O)C4CCCOC4)C3)ccc2n1.
What is the InChIKey of [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is FVVZUXMOZKNUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-9-22-16(18-12)5-4-15(20-22)19-14-6-7-21(10-14)17(23)13-3-2-8-24-11-13/h4-5,9,13-14H,2-3,6-8,10-11H2,1H3,(H,19,20).
What are the key properties of [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone?
[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 122158887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).