2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone

C18H27N5O2 — CID 164633897

IUPAC2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCCC(C)(C)OCC(=O)N1CC[C@H](Nc2ccc3nc(C)cn3n2)C1
InChIInChI=1S/C18H27N5O2/c1-5-18(3,4)25-12-17(24)22-9-8-14(11-22)20-15-6-7-16-19-13(2)10-23(16)21-15/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyWNSSBEWTZNYAMT-AWEZNQCLSA-N
MW345.45 g/mol
LogP2.26
Rot. Bonds6

About 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone

2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 164633897) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone
PubChem CID164633897
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCCC(C)(C)OCC(=O)N1CC[C@H](Nc2ccc3nc(C)cn3n2)C1
InChIInChI=1S/C18H27N5O2/c1-5-18(3,4)25-12-17(24)22-9-8-14(11-22)20-15-6-7-16-19-13(2)10-23(16)21-15/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyWNSSBEWTZNYAMT-AWEZNQCLSA-N
XLogP2.26
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone 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 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone (CID 164633897) is 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone is CCC(C)(C)OCC(=O)N1CC[C@H](Nc2ccc3nc(C)cn3n2)C1.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is WNSSBEWTZNYAMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-18(3,4)25-12-17(24)22-9-8-14(11-22)20-15-6-7-16-19-13(2)10-23(16)21-15/h6-7,10,14H,5,8-9,11-12H2,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone?
2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-1-[(3S)-3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 164633897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).