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

C23H32N6O2 — CID 78161991

IUPAC2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)Oc1ccccc1CNc1nc(OC2CCCNC2)nc2c(C(C)C)cnn12
InChIInChI=1S/C23H32N6O2/c1-15(2)19-14-26-29-21(19)27-23(31-18-9-7-11-24-13-18)28-22(29)25-12-17-8-5-6-10-20(17)30-16(3)4/h5-6,8,10,14-16,18,24H,7,9,11-13H2,1-4H3,(H,25,27,28)
InChIKeySGQXKMAREPYLFI-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.78
Rot. Bonds8

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

2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 78161991) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID78161991
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)Oc1ccccc1CNc1nc(OC2CCCNC2)nc2c(C(C)C)cnn12
InChIInChI=1S/C23H32N6O2/c1-15(2)19-14-26-29-21(19)27-23(31-18-9-7-11-24-13-18)28-22(29)25-12-17-8-5-6-10-20(17)30-16(3)4/h5-6,8,10,14-16,18,24H,7,9,11-13H2,1-4H3,(H,25,27,28)
InChIKeySGQXKMAREPYLFI-UHFFFAOYSA-N
XLogP3.78
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 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) is 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)Oc1ccccc1CNc1nc(OC2CCCNC2)nc2c(C(C)C)cnn12.
What is the InChIKey of 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is SGQXKMAREPYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-15(2)19-14-26-29-21(19)27-23(31-18-9-7-11-24-13-18)28-22(29)25-12-17-8-5-6-10-20(17)30-16(3)4/h5-6,8,10,14-16,18,24H,7,9,11-13H2,1-4H3,(H,25,27,28).
What are the key properties of 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 424.55 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 78161991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).