tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate

C23H28N6O3 — CID 175841358

IUPACtert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCOc1ncccc1-c1cnn2ccc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)nc12
InChIInChI=1S/C23H28N6O3/c1-22(2,3)32-21(30)28-13-12-27(15-23(28)8-9-23)18-7-11-29-19(26-18)17(14-25-29)16-6-5-10-24-20(16)31-4/h5-7,10-11,14H,8-9,12-13,15H2,1-4H3
InChIKeyUWQWYTDSVZDFCM-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate

tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate (PubChem CID 175841358) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
PubChem CID175841358
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Nametert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCOc1ncccc1-c1cnn2ccc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)nc12
InChIInChI=1S/C23H28N6O3/c1-22(2,3)32-21(30)28-13-12-27(15-23(28)8-9-23)18-7-11-29-19(26-18)17(14-25-29)16-6-5-10-24-20(16)31-4/h5-7,10-11,14H,8-9,12-13,15H2,1-4H3
InChIKeyUWQWYTDSVZDFCM-UHFFFAOYSA-N
XLogP3.39
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 175841381
3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 166518423
propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 71744766
tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 176665673
tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
CID 167436683
hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 161173714
tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 138674727
(5S)-1-(3,3-dimethylbutyl)-5-[[[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-2-one
CID 71744726
tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate
CID 146404981
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 3,3-dimethylpyrrolidine-1-carboxylate;3-chloro-2-methoxypyridine
CID 156848103
tert-butyl 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 118618240

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?
The IUPAC name of 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) is tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate is COc1ncccc1-c1cnn2ccc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)nc12.
What is the InChIKey of tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?
The InChIKey is UWQWYTDSVZDFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-22(2,3)32-21(30)28-13-12-27(15-23(28)8-9-23)18-7-11-29-19(26-18)17(14-25-29)16-6-5-10-24-20(16)31-4/h5-7,10-11,14H,8-9,12-13,15H2,1-4H3.
What are the key properties of tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate has a molecular weight of 436.52 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 175841358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).