tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate

C23H33N5O3 — CID 176681794

IUPACtert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCn1nccc1-c1cc(=O)c(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c[nH]1
InChIInChI=1S/C23H33N5O3/c1-22(2,3)31-21(30)27-11-12-28(23(16-27)8-5-6-9-23)15-17-14-24-18(13-20(17)29)19-7-10-25-26(19)4/h7,10,13-14H,5-6,8-9,11-12,15-16H2,1-4H3,(H,24,29)
InChIKeyJMZVACHAPYXHIM-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 176681794) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID176681794
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Nametert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCn1nccc1-c1cc(=O)c(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c[nH]1
InChIInChI=1S/C23H33N5O3/c1-22(2,3)31-21(30)27-11-12-28(23(16-27)8-5-6-9-23)15-17-14-24-18(13-20(17)29)19-7-10-25-26(19)4/h7,10,13-14H,5-6,8-9,11-12,15-16H2,1-4H3,(H,24,29)
InChIKeyJMZVACHAPYXHIM-UHFFFAOYSA-N
XLogP3.14
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681969
tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681845
tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528
tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100716484
tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100623973
tert-butyl (4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100623953
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
5-[[9-[(2S,4R)-2-(2,5-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-(4-fluorophenyl)-1H-pyridin-4-one
CID 176681665
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
tert-butyl 5-(2,2-dimethylpropanoyl)-5,8-diazaspiro[3.5]nonane-8-carboxylate
CID 126750138
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
CID 138109545

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate (CID 176681794) is tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate is Cn1nccc1-c1cc(=O)c(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c[nH]1.
What is the InChIKey of tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is JMZVACHAPYXHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-22(2,3)31-21(30)27-11-12-28(23(16-27)8-5-6-9-23)15-17-14-24-18(13-20(17)29)19-7-10-25-26(19)4/h7,10,13-14H,5-6,8-9,11-12,15-16H2,1-4H3,(H,24,29).
What are the key properties of tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 427.55 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 176681794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).