N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C21H33N7O — CID 171798236

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOC1CCN(c2nc(NC3CC4CCC(C3)N4)n3ncc(C(C)C)c3n2)CC1
InChIInChI=1S/C21H33N7O/c1-13(2)18-12-22-28-19(18)25-20(27-8-6-17(29-3)7-9-27)26-21(28)24-16-10-14-4-5-15(11-16)23-14/h12-17,23H,4-11H2,1-3H3,(H,24,25,26)
InChIKeyYINOMCRJWFMFDL-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.56
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 171798236) has the molecular formula C21H33N7O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID171798236
Molecular FormulaC21H33N7O
Molecular Weight399.54 g/mol
Exact Mass399.27
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOC1CCN(c2nc(NC3CC4CCC(C3)N4)n3ncc(C(C)C)c3n2)CC1
InChIInChI=1S/C21H33N7O/c1-13(2)18-12-22-28-19(18)25-20(27-8-6-17(29-3)7-9-27)26-21(28)24-16-10-14-4-5-15(11-16)23-14/h12-17,23H,4-11H2,1-3H3,(H,24,25,26)
InChIKeyYINOMCRJWFMFDL-UHFFFAOYSA-N
XLogP2.56
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine 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

N-(2-morpholin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 140944742
4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylic acid
CID 156513507
tert-butyl 3-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798394
piperidin-4-yl 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylate
CID 163568736
N-cyclopropyl-4,8-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 156513284
8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165111073
8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine
CID 146188009
N-[[3-(cycloheptylmethyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 159180690
1-[4-(4,4-dimethylcyclododecyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-amine
CID 146187609
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylate
CID 163790869
azetidin-3-yl 3-[[8-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798493
2-(1-methylpiperidin-4-yl)oxy-N-[(1S)-1-naphthalen-1-ylethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71731503

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 171798236) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COC1CCN(c2nc(NC3CC4CCC(C3)N4)n3ncc(C(C)C)c3n2)CC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is YINOMCRJWFMFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O/c1-13(2)18-12-22-28-19(18)25-20(27-8-6-17(29-3)7-9-27)26-21(28)24-16-10-14-4-5-15(11-16)23-14/h12-17,23H,4-11H2,1-3H3,(H,24,25,26).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 399.54 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxypiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 171798236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).