2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C26H37N7O — CID 71730674

IUPAC2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NC(C)c3ccccc3N3CCCCC3)nc(O[C@@H]3CCCNC3)nc12
InChIInChI=1S/C26H37N7O/c1-18(2)22-17-28-33-24(22)30-26(34-20-10-9-13-27-16-20)31-25(33)29-19(3)21-11-5-6-12-23(21)32-14-7-4-8-15-32/h5-6,11-12,17-20,27H,4,7-10,13-16H2,1-3H3,(H,29,30,31)/t19?,20-/m1/s1
InChIKeyRJSGKKANFDKKFO-GFOWMXPYSA-N
MW463.63 g/mol
LogP4.54
Rot. Bonds7

About 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 71730674) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID71730674
Molecular FormulaC26H37N7O
Molecular Weight463.63 g/mol
Exact Mass463.31
IUPAC Name2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NC(C)c3ccccc3N3CCCCC3)nc(O[C@@H]3CCCNC3)nc12
InChIInChI=1S/C26H37N7O/c1-18(2)22-17-28-33-24(22)30-26(34-20-10-9-13-27-16-20)31-25(33)29-19(3)21-11-5-6-12-23(21)32-14-7-4-8-15-32/h5-6,11-12,17-20,27H,4,7-10,13-16H2,1-3H3,(H,29,30,31)/t19?,20-/m1/s1
InChIKeyRJSGKKANFDKKFO-GFOWMXPYSA-N
XLogP4.54
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-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

2-piperidin-3-yloxy-8-propan-2-yl-N-[1-(2-pyrrolidin-1-ylphenyl)ethyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161940
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730743
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71732087
2-methylpropyl N-[2-[1-[[2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]phenyl]carbamate
CID 118029344
N-[(2-cyclobutylphenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(2-cyclopentylphenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158987335
2-cyclohexyloxy-N-[1-(2-methylsulfanylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;1-iodopropane;methane;N-[1-(2-methylsulfinylphenyl)ethyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;vanadium
CID 158246802
2-[2-[[[2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]acetic acid
CID 121248459
2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161991
N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78162195
2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78162091
8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-[(3R)-pyrrolidin-3-yl]oxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71730492
2-cyclohexyloxy-N-[(2-methylsulfanylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(2-methylsulfinylphenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 157277021

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 71730674) is 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NC(C)c3ccccc3N3CCCCC3)nc(O[C@@H]3CCCNC3)nc12.
What is the InChIKey of 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is RJSGKKANFDKKFO-GFOWMXPYSA-N. The full InChI is InChI=1S/C26H37N7O/c1-18(2)22-17-28-33-24(22)30-26(34-20-10-9-13-27-16-20)31-25(33)29-19(3)21-11-5-6-12-23(21)32-14-7-4-8-15-32/h5-6,11-12,17-20,27H,4,7-10,13-16H2,1-3H3,(H,29,30,31)/t19?,20-/m1/s1.
What are the key properties of 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 463.63 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-piperidin-3-yl]oxy-N-[1-(2-piperidin-1-ylphenyl)ethyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 71730674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).