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

C49H66N12O2 — CID 158987335

About 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

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 (PubChem CID 158987335) has the molecular formula C49H66N12O2 and a molecular weight of 855.15 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158987335
• Molecular Formula: C49H66N12O2
• Molecular Weight: 855.15 g/mol
• Exact Mass: 854.54
• IUPAC Name: 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
• SMILES: CC(C)c1cnn2c(NCc3ccccc3C3CCC3)nc(O[C@@H]3CCCNC3)nc12.CC(C)c1cnn2c(NCc3ccccc3C3CCCC3)nc(O[C@@H]3CCCNC3)nc12
• InChI: InChI=1S/C25H34N6O.C24H32N6O/c1-17(2)22-16-28-31-23(22)29-25(32-20-11-7-13-26-15-20)30-24(31)27-14-19-10-5-6-12-21(19)18-8-3-4-9-18;1-16(2)21-15-27-30-22(21)28-24(31-19-10-6-12-25-14-19)29-23(30)26-13-18-7-3-4-11-20(18)17-8-5-9-17/h5-6,10,12,16-18,20,26H,3-4,7-9,11,13-15H2,1-2H3,(H,27,29,30);3-4,7,11,15-17,19,25H,5-6,8-10,12-14H2,1-2H3,(H,26,28,29)/t20-;19-/m11/s1
• InChIKey: JPSPMOFVOJWMDP-FBZVSCGNSA-N
• XLogP: 8.91
• TPSA: 152.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.15
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)c1cnn2c(NCc3ccccc3C3CCC3)nc(O[C@@H]3CCCNC3)nc12.CC(C)c1cnn2c(NCc3ccccc3C3CCCC3)nc(O[C@@H]3CCCNC3)nc12.

What is the InChIKey of 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?

The InChIKey is JPSPMOFVOJWMDP-FBZVSCGNSA-N. The full InChI is InChI=1S/C25H34N6O.C24H32N6O/c1-17(2)22-16-28-31-23(22)29-25(32-20-11-7-13-26-15-20)30-24(31)27-14-19-10-5-6-12-21(19)18-8-3-4-9-18;1-16(2)21-15-27-30-22(21)28-24(31-19-10-6-12-25-14-19)29-23(30)26-13-18-7-3-4-11-20(18)17-8-5-9-17/h5-6,10,12,16-18,20,26H,3-4,7-9,11,13-15H2,1-2H3,(H,27,29,30);3-4,7,11,15-17,19,25H,5-6,8-10,12-14H2,1-2H3,(H,26,28,29)/t20-;19-/m11/s1.

What are the key properties of 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?

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 has a molecular weight of 855.15 g/mol, XLogP of 8.91, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158987335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).