1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine

C14H14N6O — CID 59633757

IUPAC1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Oc1ccccc1)nn2C1CNC1
InChIInChI=1S/C14H14N6O/c15-12-11-13(18-8-17-12)20(9-6-16-7-9)19-14(11)21-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H2,15,17,18)
InChIKeyFPEVQZJCHDUDKF-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.35
Rot. Bonds3

About 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine

1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633757) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633757
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Oc1ccccc1)nn2C1CNC1
InChIInChI=1S/C14H14N6O/c15-12-11-13(18-8-17-12)20(9-6-16-7-9)19-14(11)21-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H2,15,17,18)
InChIKeyFPEVQZJCHDUDKF-UHFFFAOYSA-N
XLogP1.35
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chlorophenoxy)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 59633771
1-[4-[4-(azetidin-3-yl)piperazin-1-yl]cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162719607
1-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162719641
1-[1-[2-(azetidin-3-yl)-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155345432
3-(4-phenoxyphenyl)-1-[1-(1-piperidin-4-ylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 139945625
1-[1-(azetidin-3-yl)piperidin-4-yl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166940800
1-(1-methylazetidin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 163550222
1-[(3S,4R)-1-[1-(azetidin-3-yl)azetidin-3-yl]-3-fluoropiperidin-4-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155345305
1-[(3S)-1-[1-(azetidin-3-yl)piperidin-4-yl]-3-fluoropiperidin-4-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155358045
1-(azetidin-3-yl)-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 174628107
1-[3-(4-methylpiperazin-1-yl)cyclobutyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22347356
6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 90150400

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine (CID 59633757) is 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(Oc1ccccc1)nn2C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FPEVQZJCHDUDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-12-11-13(18-8-17-12)20(9-6-16-7-9)19-14(11)21-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H2,15,17,18).
What are the key properties of 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine?
1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 282.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).