2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C24H30N8O — CID 158518004

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3cccc4nonc34)nc(N3CCC4(CCCC4)CC3)nc12
InChIInChI=1S/C24H30N8O/c1-16(2)18-15-26-32-21(18)27-23(31-12-10-24(11-13-31)8-3-4-9-24)28-22(32)25-14-17-6-5-7-19-20(17)30-33-29-19/h5-7,15-16H,3-4,8-14H2,1-2H3,(H,25,27,28)
InChIKeyHLWFNGPEYQFTNQ-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.56
Rot. Bonds5

About 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 158518004) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID158518004
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3cccc4nonc34)nc(N3CCC4(CCCC4)CC3)nc12
InChIInChI=1S/C24H30N8O/c1-16(2)18-15-26-32-21(18)27-23(31-12-10-24(11-13-31)8-3-4-9-24)28-22(32)25-14-17-6-5-7-19-20(17)30-33-29-19/h5-7,15-16H,3-4,8-14H2,1-2H3,(H,25,27,28)
InChIKeyHLWFNGPEYQFTNQ-UHFFFAOYSA-N
XLogP4.56
TPSA97.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine
CID 146188009
N-[[3-(cycloheptylmethyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 159180690
2-(1-azaspiro[4.5]decan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158274843
N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123820160
2-(1,3-diazinan-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123364970
6-[2-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-2,2-dimethyl-4H-chromen-3-one
CID 157361367
(E)-N-[8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]naphthalen-2-yl]-4-(dimethylamino)but-2-enamide
CID 176800409
2-methyl-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123303053
2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 121257907
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123647234
3-fluoro-1-[1-[2-[[[2-(4-fluoropiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]isoquinolin-6-yl]but-3-en-2-one
CID 164987744
2-methyl-8-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123541841

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 158518004) is 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3cccc4nonc34)nc(N3CCC4(CCCC4)CC3)nc12.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is HLWFNGPEYQFTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-16(2)18-15-26-32-21(18)27-23(31-12-10-24(11-13-31)8-3-4-9-24)28-22(32)25-14-17-6-5-7-19-20(17)30-33-29-19/h5-7,15-16H,3-4,8-14H2,1-2H3,(H,25,27,28).
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 446.56 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-N-(2,1,3-benzoxadiazol-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 158518004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).