tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate

C15H22ClN5O3 — CID 168901287

IUPACtert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)CN(c1cc(Cl)nnc1N)CCO2
InChIInChI=1S/C15H22ClN5O3/c1-14(2,3)24-13(22)21-8-15(9-21)7-20(4-5-23-15)10-6-11(16)18-19-12(10)17/h6H,4-5,7-9H2,1-3H3,(H2,17,19)
InChIKeyQAONOOWTNSZURT-UHFFFAOYSA-N
MW355.83 g/mol
LogP1.54
Rot. Bonds1

About tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 168901287) has the molecular formula C15H22ClN5O3 and a molecular weight of 355.83 g/mol. Its IUPAC name is tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID168901287
Molecular FormulaC15H22ClN5O3
Molecular Weight355.83 g/mol
Exact Mass355.14
IUPAC Nametert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)CN(c1cc(Cl)nnc1N)CCO2
InChIInChI=1S/C15H22ClN5O3/c1-14(2,3)24-13(22)21-8-15(9-21)7-20(4-5-23-15)10-6-11(16)18-19-12(10)17/h6H,4-5,7-9H2,1-3H3,(H2,17,19)
InChIKeyQAONOOWTNSZURT-UHFFFAOYSA-N
XLogP1.54
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-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 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 168901631
tert-butyl 4-[1-(3-amino-6-chloropyridazin-4-yl)pyrazol-4-yl]piperazine-1-carboxylate
CID 170625882
[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycyclobutyl] 4-(3-amino-6-chloropyridazin-4-yl)piperazine-1-carboxylate
CID 168903628
tert-butyl 4-pyridin-4-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394486
tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 170986746
tert-butyl 4-[1-[1-(3-amino-6-chloropyridazin-4-yl)imidazol-4-yl]ethyl]piperidine-1-carboxylate
CID 168903014
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl 2-(5-methoxypyrimidine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 131684259
tert-butyl 4-(3-chloro-7H-pyrrolo[2,3-c]pyridazin-6-yl)piperazine-1-carboxylate
CID 167081155
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
3-[4-(3-amino-6-chloropyridazin-4-yl)piperazin-1-yl]benzoic acid
CID 166643499
tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate
CID 170625025

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate (CID 168901287) is tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(C1)CN(c1cc(Cl)nnc1N)CCO2.
What is the InChIKey of tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is QAONOOWTNSZURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O3/c1-14(2,3)24-13(22)21-8-15(9-21)7-20(4-5-23-15)10-6-11(16)18-19-12(10)17/h6H,4-5,7-9H2,1-3H3,(H2,17,19).
What are the key properties of tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 355.83 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(3-amino-6-chloropyridazin-4-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 168901287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).