[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol

C15H24N6O — CID 56912897

IUPAC[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol
SMILESCC(C)c1nc(N[C@@H]2C[C@@H](CO)N(C)C2)c2cnn(C)c2n1
InChIInChI=1S/C15H24N6O/c1-9(2)13-18-14(12-6-16-21(4)15(12)19-13)17-10-5-11(8-22)20(3)7-10/h6,9-11,22H,5,7-8H2,1-4H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyKFCAAZMEHGHESN-MNOVXSKESA-N
MW304.40 g/mol
LogP0.96
Rot. Bonds4

About [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol

[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol (PubChem CID 56912897) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol
PubChem CID56912897
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol
SMILESCC(C)c1nc(N[C@@H]2C[C@@H](CO)N(C)C2)c2cnn(C)c2n1
InChIInChI=1S/C15H24N6O/c1-9(2)13-18-14(12-6-16-21(4)15(12)19-13)17-10-5-11(8-22)20(3)7-10/h6,9-11,22H,5,7-8H2,1-4H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyKFCAAZMEHGHESN-MNOVXSKESA-N
XLogP0.96
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol (CID 56912897) is [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol is CC(C)c1nc(N[C@@H]2C[C@@H](CO)N(C)C2)c2cnn(C)c2n1.
What is the InChIKey of [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol?
The InChIKey is KFCAAZMEHGHESN-MNOVXSKESA-N. The full InChI is InChI=1S/C15H24N6O/c1-9(2)13-18-14(12-6-16-21(4)15(12)19-13)17-10-5-11(8-22)20(3)7-10/h6,9-11,22H,5,7-8H2,1-4H3,(H,17,18,19)/t10-,11+/m1/s1.
What are the key properties of [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol?
[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol has a molecular weight of 304.40 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 56912897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).