tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate

C17H24FN3O2 — CID 176665673

IUPACtert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCc1cnc(N2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1F
InChIInChI=1S/C17H24FN3O2/c1-12-10-19-14(9-13(12)18)20-7-8-21(17(11-20)5-6-17)15(22)23-16(2,3)4/h9-10H,5-8,11H2,1-4H3
InChIKeyARCRCDUCQQFLJU-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.12
Rot. Bonds1

About tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate

tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate (PubChem CID 176665673) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
PubChem CID176665673
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Nametert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCc1cnc(N2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1F
InChIInChI=1S/C17H24FN3O2/c1-12-10-19-14(9-13(12)18)20-7-8-21(17(11-20)5-6-17)15(22)23-16(2,3)4/h9-10H,5-8,11H2,1-4H3
InChIKeyARCRCDUCQQFLJU-UHFFFAOYSA-N
XLogP3.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate with MolForge

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Related Compounds

tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 138674727
tert-butyl 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 57477280
tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate
CID 168888348
tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 156845103
tert-butyl 7-(4-chloro-7-methoxypyrido[3,2-d]pyrimidin-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 166539573
tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 175841358
tert-butyl 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 118618240
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]-6-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyrimidine-2-carboxylic acid
CID 162375649
tert-butyl 4-(4-ethynyl-5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 175400380
tert-butyl 7-[8-fluoro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]quinolin-6-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 168977836
tert-butyl 7-[1-[4-(7-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]isoquinolin-3-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 71014715
tert-butyl 7-(4-amino-2-methylphenyl)-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 142621501

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate (CID 176665673) is tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate is Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc1F.
What is the InChIKey of tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The InChIKey is ARCRCDUCQQFLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12-10-19-14(9-13(12)18)20-7-8-21(17(11-20)5-6-17)15(22)23-16(2,3)4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate has a molecular weight of 321.40 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 176665673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).