tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H24N4O3 — CID 171945562

IUPACtert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)22-13-6-7-14(22)10-12(9-13)17(24)15-11-20-16-5-4-8-21-23(15)16/h4-5,8,11-14H,6-7,9-10H2,1-3H3
InChIKeyWSNGMEBFXHWWGD-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.09
Rot. Bonds2

About tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171945562) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171945562
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nametert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)22-13-6-7-14(22)10-12(9-13)17(24)15-11-20-16-5-4-8-21-23(15)16/h4-5,8,11-14H,6-7,9-10H2,1-3H3
InChIKeyWSNGMEBFXHWWGD-UHFFFAOYSA-N
XLogP3.09
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

Tert-butyl 4-[[6-[2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 66695501
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 4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylazepane-1-carboxylate
CID 122646577
1-[6-[(2R)-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 144344739
7-(Imidazo[1,2-b]pyridazin-3-ylcarbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56909119
tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate
CID 59543947
Tert-butyl 4-[6,8-di(propan-2-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate
CID 117978069
1-[6-[4-(1-Aminocyclopentanecarbonyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 141633561
Tert-butyl 3-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-1,6-naphthyridin-6-yl]pyrrolidine-1-carboxylate
CID 168226920
tert-butyl (3S)-3-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-1,6-naphthyridin-6-yl]pyrrolidine-1-carboxylate
CID 168226980
tert-butyl (3R)-3-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-oxo-1,6-naphthyridin-6-yl]pyrrolidine-1-carboxylate
CID 168227132
(5S)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723888

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171945562) is tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(C(=O)c1cnc3cccnn13)C2.
What is the InChIKey of tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is WSNGMEBFXHWWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)22-13-6-7-14(22)10-12(9-13)17(24)15-11-20-16-5-4-8-21-23(15)16/h4-5,8,11-14H,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 3.09, 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)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171945562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).