N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C23H30N6O — CID 71732087

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(N[C@H](c3ccccc3)C3CC3)nc(O[C@@H]3CCCNC3)nc12
InChIInChI=1S/C23H30N6O/c1-15(2)19-14-25-29-21(19)27-23(30-18-9-6-12-24-13-18)28-22(29)26-20(17-10-11-17)16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18,20,24H,6,9-13H2,1-2H3,(H,26,27,28)/t18-,20-/m1/s1
InChIKeyWEDZUPXGSCRMMN-UYAOXDASSA-N
MW406.53 g/mol
LogP3.94
Rot. Bonds7

About N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 71732087) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID71732087
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(N[C@H](c3ccccc3)C3CC3)nc(O[C@@H]3CCCNC3)nc12
InChIInChI=1S/C23H30N6O/c1-15(2)19-14-25-29-21(19)27-23(30-18-9-6-12-24-13-18)28-22(29)26-20(17-10-11-17)16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18,20,24H,6,9-13H2,1-2H3,(H,26,27,28)/t18-,20-/m1/s1
InChIKeyWEDZUPXGSCRMMN-UYAOXDASSA-N
XLogP3.94
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
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-[(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-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
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
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
N-[(2-oxidoisoquinolin-2-ium-8-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78162191
8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161990
1-[2-[[[2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]isoquinolin-6-amine
CID 166139407

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)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-[(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) is N-[(S)-cyclopropyl(phenyl)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-[(S)-cyclopropyl(phenyl)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-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(N[C@H](c3ccccc3)C3CC3)nc(O[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is WEDZUPXGSCRMMN-UYAOXDASSA-N. The full InChI is InChI=1S/C23H30N6O/c1-15(2)19-14-25-29-21(19)27-23(30-18-9-6-12-24-13-18)28-22(29)26-20(17-10-11-17)16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18,20,24H,6,9-13H2,1-2H3,(H,26,27,28)/t18-,20-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-[(S)-cyclopropyl(phenyl)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 406.53 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)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 71732087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).