(2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one

C16H24N6O — CID 95286404

IUPAC(2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
SMILESCc1nc(N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c2cnn(C)c2n1
InChIInChI=1S/C16H24N6O/c1-10-7-5-6-8-22(10)16(23)11(2)18-14-13-9-17-21(4)15(13)20-12(3)19-14/h9-11H,5-8H2,1-4H3,(H,18,19,20)/t10-,11-/m0/s1
InChIKeyQBSPHEIZGOHXOG-QWRGUYRKSA-N
MW316.41 g/mol
LogP1.87
Rot. Bonds3

About (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one

(2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one (PubChem CID 95286404) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
PubChem CID95286404
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
SMILESCc1nc(N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c2cnn(C)c2n1
InChIInChI=1S/C16H24N6O/c1-10-7-5-6-8-22(10)16(23)11(2)18-14-13-9-17-21(4)15(13)20-12(3)19-14/h9-11H,5-8H2,1-4H3,(H,18,19,20)/t10-,11-/m0/s1
InChIKeyQBSPHEIZGOHXOG-QWRGUYRKSA-N
XLogP1.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl (2R,3S)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-methylbutanoate
CID 99843622
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 124880339
6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 97349074
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
(2R)-2-(4-bromopyrazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 35523007
2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133285559
1-(2-methylpiperidin-1-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 133285551
2-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133343540
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
CID 19623821
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378
1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 95281378

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one (CID 95286404) is (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one is Cc1nc(N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c2cnn(C)c2n1.
What is the InChIKey of (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The InChIKey is QBSPHEIZGOHXOG-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H24N6O/c1-10-7-5-6-8-22(10)16(23)11(2)18-14-13-9-17-21(4)15(13)20-12(3)19-14/h9-11H,5-8H2,1-4H3,(H,18,19,20)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
(2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one has a molecular weight of 316.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 95286404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).