N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C21H26N8O — CID 78162193

IUPACN-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12
InChIInChI=1S/C21H26N8O/c1-13(2)16-12-25-29-19(16)26-21(30-15-6-4-8-22-10-15)27-20(29)23-9-14-5-3-7-18-17(14)11-24-28-18/h3,5,7,11-13,15,22H,4,6,8-10H2,1-2H3,(H,24,28)(H,23,26,27)
InChIKeyYUPKNRGPZOEEQC-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.87
Rot. Bonds6

About N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 78162193) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID78162193
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC NameN-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12
InChIInChI=1S/C21H26N8O/c1-13(2)16-12-25-29-19(16)26-21(30-15-6-4-8-22-10-15)27-20(29)23-9-14-5-3-7-18-17(14)11-24-28-18/h3,5,7,11-13,15,22H,4,6,8-10H2,1-2H3,(H,24,28)(H,23,26,27)
InChIKeyYUPKNRGPZOEEQC-UHFFFAOYSA-N
XLogP2.87
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 78162193) is N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12.
What is the InChIKey of N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is YUPKNRGPZOEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-13(2)16-12-25-29-19(16)26-21(30-15-6-4-8-22-10-15)27-20(29)23-9-14-5-3-7-18-17(14)11-24-28-18/h3,5,7,11-13,15,22H,4,6,8-10H2,1-2H3,(H,24,28)(H,23,26,27).
What are the key properties of N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 406.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-ylmethyl)-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 78162193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).