6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C18H24N6O — CID 70720306

IUPAC6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1cc(C(C)Nc2nc(C3CCCC3)nc3c2cnn3C)on1
InChIInChI=1S/C18H24N6O/c1-4-13-9-15(25-23-13)11(2)20-17-14-10-19-24(3)18(14)22-16(21-17)12-7-5-6-8-12/h9-12H,4-8H2,1-3H3,(H,20,21,22)
InChIKeyPNFJHDCGJAMTTC-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.74
Rot. Bonds5

About 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70720306) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70720306
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1cc(C(C)Nc2nc(C3CCCC3)nc3c2cnn3C)on1
InChIInChI=1S/C18H24N6O/c1-4-13-9-15(25-23-13)11(2)20-17-14-10-19-24(3)18(14)22-16(21-17)12-7-5-6-8-12/h9-12H,4-8H2,1-3H3,(H,20,21,22)
InChIKeyPNFJHDCGJAMTTC-UHFFFAOYSA-N
XLogP3.74
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56884038
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
6-cyclopentyl-1-methyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95725819
6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872463
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
6-cyclopentyl-N-(2-ethylsulfonylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56902966
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70737816
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169
(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 95729990
6-cyclopentyl-1-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70759098
6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95713175
6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899071

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70720306) is 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1cc(C(C)Nc2nc(C3CCCC3)nc3c2cnn3C)on1.
What is the InChIKey of 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PNFJHDCGJAMTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-4-13-9-15(25-23-13)11(2)20-17-14-10-19-24(3)18(14)22-16(21-17)12-7-5-6-8-12/h9-12H,4-8H2,1-3H3,(H,20,21,22).
What are the key properties of 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70720306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).