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

C25H35N7O — CID 78161940

IUPAC2-piperidin-3-yloxy-8-propan-2-yl-N-[1-(2-pyrrolidin-1-ylphenyl)ethyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NC(C)c3ccccc3N3CCCC3)nc(OC3CCCNC3)nc12
InChIInChI=1S/C25H35N7O/c1-17(2)21-16-27-32-23(21)29-25(33-19-9-8-12-26-15-19)30-24(32)28-18(3)20-10-4-5-11-22(20)31-13-6-7-14-31/h4-5,10-11,16-19,26H,6-9,12-15H2,1-3H3,(H,28,29,30)
InChIKeyFHRXTOPSGRQHCD-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.15
Rot. Bonds7

About 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

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 (PubChem CID 78161940) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-piperidin-3-yloxy-8-propan-2-yl-N-[1-(2-pyrrolidin-1-ylphenyl)ethyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID78161940
Molecular FormulaC25H35N7O
Molecular Weight449.60 g/mol
Exact Mass449.29
IUPAC Name2-piperidin-3-yloxy-8-propan-2-yl-N-[1-(2-pyrrolidin-1-ylphenyl)ethyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NC(C)c3ccccc3N3CCCC3)nc(OC3CCCNC3)nc12
InChIInChI=1S/C25H35N7O/c1-17(2)21-16-27-32-23(21)29-25(33-19-9-8-12-26-15-19)30-24(32)28-18(3)20-10-4-5-11-22(20)31-13-6-7-14-31/h4-5,10-11,16-19,26H,6-9,12-15H2,1-3H3,(H,28,29,30)
InChIKeyFHRXTOPSGRQHCD-UHFFFAOYSA-N
XLogP4.15
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.15
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-[1-(2-pyrrolidin-1-ylphenyl)ethyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cnn2c(NC(C)c3ccccc3N3CCCC3)nc(OC3CCCNC3)nc12.
What is the InChIKey of 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?
The InChIKey is FHRXTOPSGRQHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O/c1-17(2)21-16-27-32-23(21)29-25(33-19-9-8-12-26-15-19)30-24(32)28-18(3)20-10-4-5-11-22(20)31-13-6-7-14-31/h4-5,10-11,16-19,26H,6-9,12-15H2,1-3H3,(H,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 449.60 g/mol, XLogP of 4.15, 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-[1-(2-pyrrolidin-1-ylphenyl)ethyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 78161940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).