2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C26H32N8O2 — CID 71731506

IUPAC2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3COC4(CCNCC4)C3)nc12
InChIInChI=1S/C26H32N8O2/c1-18(2)21-16-30-34-23(21)31-25(36-20-14-26(35-17-20)8-11-27-12-9-26)32-24(34)28-15-19-6-3-4-7-22(19)33-13-5-10-29-33/h3-7,10,13,16,18,20,27H,8-9,11-12,14-15,17H2,1-2H3,(H,28,31,32)
InChIKeyXFVZCXCSBBIDIE-UHFFFAOYSA-N
MW488.60 g/mol
LogP3.34
Rot. Bonds7

About 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 71731506) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID71731506
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3COC4(CCNCC4)C3)nc12
InChIInChI=1S/C26H32N8O2/c1-18(2)21-16-30-34-23(21)31-25(36-20-14-26(35-17-20)8-11-27-12-9-26)32-24(34)28-15-19-6-3-4-7-22(19)33-13-5-10-29-33/h3-7,10,13,16,18,20,27H,8-9,11-12,14-15,17H2,1-2H3,(H,28,31,32)
InChIKeyXFVZCXCSBBIDIE-UHFFFAOYSA-N
XLogP3.34
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 71731506) is 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3COC4(CCNCC4)C3)nc12.
What is the InChIKey of 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is XFVZCXCSBBIDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-18(2)21-16-30-34-23(21)31-25(36-20-14-26(35-17-20)8-11-27-12-9-26)32-24(34)28-15-19-6-3-4-7-22(19)33-13-5-10-29-33/h3-7,10,13,16,18,20,27H,8-9,11-12,14-15,17H2,1-2H3,(H,28,31,32).
What are the key properties of 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 488.60 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 71731506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).