N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C21H25N5O — CID 133377862

IUPACN-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NC4CCOC5(CCCCC5)C4)ncnc32)cc1
InChIInChI=1S/C21H25N5O/c1-3-7-17(8-4-1)26-20-18(14-24-26)19(22-15-23-20)25-16-9-12-27-21(13-16)10-5-2-6-11-21/h1,3-4,7-8,14-16H,2,5-6,9-13H2,(H,22,23,25)
InChIKeyCFDIYUYJDJAIHL-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.11
Rot. Bonds3

About N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133377862) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133377862
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC NameN-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NC4CCOC5(CCCCC5)C4)ncnc32)cc1
InChIInChI=1S/C21H25N5O/c1-3-7-17(8-4-1)26-20-18(14-24-26)19(22-15-23-20)25-16-9-12-27-21(13-16)10-5-2-6-11-21/h1,3-4,7-8,14-16H,2,5-6,9-13H2,(H,22,23,25)
InChIKeyCFDIYUYJDJAIHL-UHFFFAOYSA-N
XLogP4.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethylphenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 154872937
N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133399449
7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133378078
N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866420
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 127441908
5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133377878
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406951
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 154836519
N-(1,1-dioxothiolan-3-yl)-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431982
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133312334

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 133377862) is N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(-n2ncc3c(NC4CCOC5(CCCCC5)C4)ncnc32)cc1.
What is the InChIKey of N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CFDIYUYJDJAIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-7-17(8-4-1)26-20-18(14-24-26)19(22-15-23-20)25-16-9-12-27-21(13-16)10-5-2-6-11-21/h1,3-4,7-8,14-16H,2,5-6,9-13H2,(H,22,23,25).
What are the key properties of N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 363.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133377862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).