(4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

C17H25N7O — CID 171359484

IUPAC(4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(C[C@H]1CC(=O)N(C2CCCC2)C1)c1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C17H25N7O/c1-22(17-20-15(18)13-8-19-23(2)16(13)21-17)9-11-7-14(25)24(10-11)12-5-3-4-6-12/h8,11-12H,3-7,9-10H2,1-2H3,(H2,18,20,21)/t11-/m1/s1
InChIKeyIDVICWBPKUWWGL-LLVKDONJSA-N
MW343.44 g/mol
LogP1.17
Rot. Bonds4

About (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

(4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 171359484) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
PubChem CID171359484
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name(4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(C[C@H]1CC(=O)N(C2CCCC2)C1)c1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C17H25N7O/c1-22(17-20-15(18)13-8-19-23(2)16(13)21-17)9-11-7-14(25)24(10-11)12-5-3-4-6-12/h8,11-12H,3-7,9-10H2,1-2H3,(H2,18,20,21)/t11-/m1/s1
InChIKeyIDVICWBPKUWWGL-LLVKDONJSA-N
XLogP1.17
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (CID 171359484) is (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is CN(C[C@H]1CC(=O)N(C2CCCC2)C1)c1nc(N)c2cnn(C)c2n1.
What is the InChIKey of (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is IDVICWBPKUWWGL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H25N7O/c1-22(17-20-15(18)13-8-19-23(2)16(13)21-17)9-11-7-14(25)24(10-11)12-5-3-4-6-12/h8,11-12H,3-7,9-10H2,1-2H3,(H2,18,20,21)/t11-/m1/s1.
What are the key properties of (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
(4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 343.44 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 171359484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).