tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol

C22H31N5O3 — CID 163302303

IUPACtert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
SMILESCC(C)(C)OC(=O)N1CCCCCC1.Cn1cc(-c2cc(O)c3ccnn3c2)cn1
InChIInChI=1S/C11H10N4O.C11H21NO2/c1-14-6-9(5-13-14)8-4-11(16)10-2-3-12-15(10)7-8;1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h2-7,16H,1H3;4-9H2,1-3H3
InChIKeyUUAALMFURNWPKC-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.24
Rot. Bonds1

About tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol

tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol (PubChem CID 163302303) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Nametert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
PubChem CID163302303
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Nametert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
SMILESCC(C)(C)OC(=O)N1CCCCCC1.Cn1cc(-c2cc(O)c3ccnn3c2)cn1
InChIInChI=1S/C11H10N4O.C11H21NO2/c1-14-6-9(5-13-14)8-4-11(16)10-2-3-12-15(10)7-8;1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h2-7,16H,1H3;4-9H2,1-3H3
InChIKeyUUAALMFURNWPKC-UHFFFAOYSA-N
XLogP4.24
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepane-1-carboxylate
CID 163302037
bis(tert-butyl azepane-1-carboxylate);6-(1-methylpyrazol-4-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 163301446
tert-butyl 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazetidine-1-carboxylate
CID 163301724
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-(1-methylpyrazol-4-yl)-1,3-dihydroisoindole-2-carboxylate
CID 130430942
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl azepane-1-carboxylate;6-(2-methyl-1,3-thiazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163302221
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate
CID 58404844
tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 177310837
tert-butyl (4R)-4-(6-phenylpyrazolo[1,5-a]pyrazin-4-yl)oxyazepane-1-carboxylate
CID 163302274

Frequently Asked Questions

What is the IUPAC name of tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol (CID 163302303) is tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol.
What is the SMILES notation for tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol is CC(C)(C)OC(=O)N1CCCCCC1.Cn1cc(-c2cc(O)c3ccnn3c2)cn1.
What is the InChIKey of tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is UUAALMFURNWPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O.C11H21NO2/c1-14-6-9(5-13-14)8-4-11(16)10-2-3-12-15(10)7-8;1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h2-7,16H,1H3;4-9H2,1-3H3.
What are the key properties of tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol?
tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol has a molecular weight of 413.52 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 163302303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).