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

C17H23N7O — CID 56884038

IUPAC6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1noc(C(C)Nc2nc(C3CCCC3)nc3c2cnn3C)n1
InChIInChI=1S/C17H23N7O/c1-4-13-20-17(25-23-13)10(2)19-15-12-9-18-24(3)16(12)22-14(21-15)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H,19,21,22)
InChIKeyJCIGWNQFTRGTGD-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.14
Rot. Bonds5

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

6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56884038) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56884038
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1noc(C(C)Nc2nc(C3CCCC3)nc3c2cnn3C)n1
InChIInChI=1S/C17H23N7O/c1-4-13-20-17(25-23-13)10(2)19-15-12-9-18-24(3)16(12)22-14(21-15)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H,19,21,22)
InChIKeyJCIGWNQFTRGTGD-UHFFFAOYSA-N
XLogP3.14
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-cyclopentyl-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70720306
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872463
6-cyclopentyl-1-methyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95725819
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70737816
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
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-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899071
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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56884038) is 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1noc(C(C)Nc2nc(C3CCCC3)nc3c2cnn3C)n1.
What is the InChIKey of 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JCIGWNQFTRGTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-4-13-20-17(25-23-13)10(2)19-15-12-9-18-24(3)16(12)22-14(21-15)11-7-5-6-8-11/h9-11H,4-8H2,1-3H3,(H,19,21,22).
What are the key properties of 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56884038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).