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

C25H29N7O — CID 78162091

IUPAC2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-c3cccnc3)nc(OC3CCCNC3)nc12
InChIInChI=1S/C25H29N7O/c1-17(2)22-16-29-32-23(22)30-25(33-20-9-6-12-27-15-20)31-24(32)28-14-19-7-3-4-10-21(19)18-8-5-11-26-13-18/h3-5,7-8,10-11,13,16-17,20,27H,6,9,12,14-15H2,1-2H3,(H,28,30,31)
InChIKeyDEQYVHCCZTVYQX-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.05
Rot. Bonds7

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

2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 78162091) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID78162091
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-c3cccnc3)nc(OC3CCCNC3)nc12
InChIInChI=1S/C25H29N7O/c1-17(2)22-16-29-32-23(22)30-25(33-20-9-6-12-27-15-20)31-24(32)28-14-19-7-3-4-10-21(19)18-8-5-11-26-13-18/h3-5,7-8,10-11,13,16-17,20,27H,6,9,12,14-15H2,1-2H3,(H,28,30,31)
InChIKeyDEQYVHCCZTVYQX-UHFFFAOYSA-N
XLogP4.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.05
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-pyridin-3-ylphenyl)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-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 78162091) is 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)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-pyridin-3-ylphenyl)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-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3ccccc3-c3cccnc3)nc(OC3CCCNC3)nc12.
What is the InChIKey of 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is DEQYVHCCZTVYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-17(2)22-16-29-32-23(22)30-25(33-20-9-6-12-27-15-20)31-24(32)28-14-19-7-3-4-10-21(19)18-8-5-11-26-13-18/h3-5,7-8,10-11,13,16-17,20,27H,6,9,12,14-15H2,1-2H3,(H,28,30,31).
What are the key properties of 2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 443.56 g/mol, XLogP of 4.05, 7 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-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 78162091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).