2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C24H28N6OS — CID 71731764

IUPAC2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-c3cccs3)nc(OC3CCNCC3)nc12
InChIInChI=1S/C24H28N6OS/c1-16(2)20-15-27-30-22(20)28-24(31-18-9-11-25-12-10-18)29-23(30)26-14-17-6-3-4-7-19(17)21-8-5-13-32-21/h3-8,13,15-16,18,25H,9-12,14H2,1-2H3,(H,26,28,29)
InChIKeyBHINGLXQFQEGND-UHFFFAOYSA-N
MW448.60 g/mol
LogP4.72
Rot. Bonds7

About 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 71731764) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID71731764
Molecular FormulaC24H28N6OS
Molecular Weight448.60 g/mol
Exact Mass448.20
IUPAC Name2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-c3cccs3)nc(OC3CCNCC3)nc12
InChIInChI=1S/C24H28N6OS/c1-16(2)20-15-27-30-22(20)28-24(31-18-9-11-25-12-10-18)29-23(30)26-14-17-6-3-4-7-19(17)21-8-5-13-32-21/h3-8,13,15-16,18,25H,9-12,14H2,1-2H3,(H,26,28,29)
InChIKeyBHINGLXQFQEGND-UHFFFAOYSA-N
XLogP4.72
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 71731764) is 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3ccccc3-c3cccs3)nc(OC3CCNCC3)nc12.
What is the InChIKey of 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is BHINGLXQFQEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-16(2)20-15-27-30-22(20)28-24(31-18-9-11-25-12-10-18)29-23(30)26-14-17-6-3-4-7-19(17)21-8-5-13-32-21/h3-8,13,15-16,18,25H,9-12,14H2,1-2H3,(H,26,28,29).
What are the key properties of 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 448.60 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 71731764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).