tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate

C20H26N4O3 — CID 171945573

IUPACtert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)23-14-6-4-7-15(23)11-13(10-14)18(25)16-12-21-17-8-5-9-22-24(16)17/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3
InChIKeyJYDGQBSGQUKYJH-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.48
Rot. Bonds2

About tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate

tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171945573) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171945573
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nametert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)23-14-6-4-7-15(23)11-13(10-14)18(25)16-12-21-17-8-5-9-22-24(16)17/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3
InChIKeyJYDGQBSGQUKYJH-UHFFFAOYSA-N
XLogP3.48
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate 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

tert-butyl 4-[[6-[(2R)-2-[(6R)-5-fluoro-6-methylcyclohexa-1,3-dien-1-yl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 68076314
tert-butyl (2S)-4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 117990863
tert-butyl (2S)-4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 117991150
tert-butyl (2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 117991222
tert-butyl (3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate
CID 117991303
Tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate
CID 123214436
Tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 123301291
Tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 123712878
Tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 124021362
(1R,5R,11aS)-3-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CID 56878014
(1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 131841846
tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate
CID 59543947

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171945573) is tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate is CC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)c1cnc3cccnn13)C2.
What is the InChIKey of tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is JYDGQBSGQUKYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)23-14-6-4-7-15(23)11-13(10-14)18(25)16-12-21-17-8-5-9-22-24(16)17/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3.
What are the key properties of tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171945573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).