tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate

C19H29N3O3 — CID 170648734

IUPACtert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Cn2ncccc2=O)C2(CCCC2)C1
InChIInChI=1S/C19H29N3O3/c1-18(2,3)25-17(24)21-12-8-15(19(14-21)9-4-5-10-19)13-22-16(23)7-6-11-20-22/h6-7,11,15H,4-5,8-10,12-14H2,1-3H3/t15-/m0/s1
InChIKeyXHRXYGCQAQZEHU-HNNXBMFYSA-N
MW347.46 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate

tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate (PubChem CID 170648734) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
PubChem CID170648734
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Cn2ncccc2=O)C2(CCCC2)C1
InChIInChI=1S/C19H29N3O3/c1-18(2,3)25-17(24)21-12-8-15(19(14-21)9-4-5-10-19)13-22-16(23)7-6-11-20-22/h6-7,11,15H,4-5,8-10,12-14H2,1-3H3/t15-/m0/s1
InChIKeyXHRXYGCQAQZEHU-HNNXBMFYSA-N
XLogP3.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate with MolForge

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Related Compounds

tert-butyl 10-[(2-oxopyrazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 155754445
tert-butyl 10-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 165142216
tert-butyl (10S)-10-[[4-(2-methylphenyl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 170560965
tert-butyl 10-[[4-(2-methoxyphenyl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 167460228
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 167460415
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
1-O-benzyl 1-O'-tert-butyl (3aR,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-2H-indole-3,3'-piperidine]-1,1'-dicarboxylate
CID 71305291

Frequently Asked Questions

What is the IUPAC name of tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate (CID 170648734) is tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](Cn2ncccc2=O)C2(CCCC2)C1.
What is the InChIKey of tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The InChIKey is XHRXYGCQAQZEHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-18(2,3)25-17(24)21-12-8-15(19(14-21)9-4-5-10-19)13-22-16(23)7-6-11-20-22/h6-7,11,15H,4-5,8-10,12-14H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (10R)-10-[(6-oxopyridazin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 170648734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).