(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H26N6O2 — CID 95721387

IUPAC(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Nc2nc(C3CCCC3)nc3c2cnn3C)CC1=O
InChIInChI=1S/C18H26N6O2/c1-23-18-14(10-19-23)17(21-16(22-18)12-5-3-4-6-12)20-13-9-15(25)24(11-13)7-8-26-2/h10,12-13H,3-9,11H2,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKeyXXRAZHUUPCULHU-CYBMUJFWSA-N
MW358.45 g/mol
LogP1.68
Rot. Bonds6

About (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 95721387) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID95721387
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Nc2nc(C3CCCC3)nc3c2cnn3C)CC1=O
InChIInChI=1S/C18H26N6O2/c1-23-18-14(10-19-23)17(21-16(22-18)12-5-3-4-6-12)20-13-9-15(25)24(11-13)7-8-26-2/h10,12-13H,3-9,11H2,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKeyXXRAZHUUPCULHU-CYBMUJFWSA-N
XLogP1.68
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
CID 56902346
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
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
N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 70756161
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
(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-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95725819
1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one
CID 56888522
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-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899071

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 95721387) is (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](Nc2nc(C3CCCC3)nc3c2cnn3C)CC1=O.
What is the InChIKey of (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is XXRAZHUUPCULHU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-23-18-14(10-19-23)17(21-16(22-18)12-5-3-4-6-12)20-13-9-15(25)24(11-13)7-8-26-2/h10,12-13H,3-9,11H2,1-2H3,(H,20,21,22)/t13-/m1/s1.
What are the key properties of (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 358.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 95721387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).