tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate

C17H26N4O3 — CID 138674727

IUPACtert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCOc1cc(N)ncc1N1CCN(C(=O)OC(C)(C)C)C2(CC2)C1
InChIInChI=1S/C17H26N4O3/c1-16(2,3)24-15(22)21-8-7-20(11-17(21)5-6-17)12-10-19-14(18)9-13(12)23-4/h9-10H,5-8,11H2,1-4H3,(H2,18,19)
InChIKeyVNYLYYJVWOZBPK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.26
Rot. Bonds2

About tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate

tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate (PubChem CID 138674727) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
PubChem CID138674727
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCOc1cc(N)ncc1N1CCN(C(=O)OC(C)(C)C)C2(CC2)C1
InChIInChI=1S/C17H26N4O3/c1-16(2,3)24-15(22)21-8-7-20(11-17(21)5-6-17)12-10-19-14(18)9-13(12)23-4/h9-10H,5-8,11H2,1-4H3,(H2,18,19)
InChIKeyVNYLYYJVWOZBPK-UHFFFAOYSA-N
XLogP2.26
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-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-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 118618240
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-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 176665673
tert-butyl 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 57477280
tert-butyl (2R)-4-[6-[[(2R)-4-(6-amino-4-methoxy-3-pyridinyl)piperazin-2-yl]methoxyamino]-4-methoxy-3-pyridinyl]-2-(hydroxymethyl)piperazine-1-carboxylate
CID 138705042
tert-butyl 7-(4-amino-2-methylphenyl)-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 142621501
tert-butyl (2R)-4-(6-amino-4-methoxy-3-pyridinyl)-2-[(1R)-1-hydroxyethyl]piperazine-1-carboxylate;tert-butyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[6-(2,5-dimethylpyrrol-1-yl)-4-methoxy-3-pyridinyl]piperazine-1-carboxylate
CID 162093828
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 4-(6-amino-5-fluoro-3-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate
CID 168888348
tert-butyl 7-amino-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxylate
CID 171618611
tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate
CID 140876667
[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
CID 138674918

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate (CID 138674727) is tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate is COc1cc(N)ncc1N1CCN(C(=O)OC(C)(C)C)C2(CC2)C1.
What is the InChIKey of tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The InChIKey is VNYLYYJVWOZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-16(2,3)24-15(22)21-8-7-20(11-17(21)5-6-17)12-10-19-14(18)9-13(12)23-4/h9-10H,5-8,11H2,1-4H3,(H2,18,19).
What are the key properties of tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 138674727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).