(3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol

C15H24N6O — CID 56907074

IUPAC(3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol
SMILESCC(C)c1nc(NC[C@@H]2CCNC[C@H]2O)c2cnn(C)c2n1
InChIInChI=1S/C15H24N6O/c1-9(2)13-19-14(11-7-18-21(3)15(11)20-13)17-6-10-4-5-16-8-12(10)22/h7,9-10,12,16,22H,4-6,8H2,1-3H3,(H,17,19,20)/t10-,12+/m0/s1
InChIKeyZMDWJYQGBKPPQO-CMPLNLGQSA-N
MW304.40 g/mol
LogP0.87
Rot. Bonds4

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

(3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol (PubChem CID 56907074) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol
PubChem CID56907074
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name(3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol
SMILESCC(C)c1nc(NC[C@@H]2CCNC[C@H]2O)c2cnn(C)c2n1
InChIInChI=1S/C15H24N6O/c1-9(2)13-19-14(11-7-18-21(3)15(11)20-13)17-6-10-4-5-16-8-12(10)22/h7,9-10,12,16,22H,4-6,8H2,1-3H3,(H,17,19,20)/t10-,12+/m0/s1
InChIKeyZMDWJYQGBKPPQO-CMPLNLGQSA-N
XLogP0.87
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol (CID 56907074) is (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol is CC(C)c1nc(NC[C@@H]2CCNC[C@H]2O)c2cnn(C)c2n1.
What is the InChIKey of (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol?
The InChIKey is ZMDWJYQGBKPPQO-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H24N6O/c1-9(2)13-19-14(11-7-18-21(3)15(11)20-13)17-6-10-4-5-16-8-12(10)22/h7,9-10,12,16,22H,4-6,8H2,1-3H3,(H,17,19,20)/t10-,12+/m0/s1.
What are the key properties of (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol?
(3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol has a molecular weight of 304.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol is sourced from PubChem (CID 56907074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).