(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

C13H19N7O — CID 119840120

IUPAC(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H19N7O/c1-9(14)13(21)20-5-3-19(4-6-20)12-10-7-17-18(2)11(10)15-8-16-12/h7-9H,3-6,14H2,1-2H3/t9-/m1/s1
InChIKeyJLYXJRLSORRDDW-SECBINFHSA-N
MW289.34 g/mol
LogP-0.64
Rot. Bonds2

About (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 119840120) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID119840120
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H19N7O/c1-9(14)13(21)20-5-3-19(4-6-20)12-10-7-17-18(2)11(10)15-8-16-12/h7-9H,3-6,14H2,1-2H3/t9-/m1/s1
InChIKeyJLYXJRLSORRDDW-SECBINFHSA-N
XLogP-0.64
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797541
2-(4-methylphenoxy)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 16617311
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 119840114
N-[(2R)-3-methyl-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 31123680
(5-methylpyrazin-2-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 29327180
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 31271906
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
(3-aminocyclohexyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119840109
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
(2-methylfuran-3-yl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 31123711

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 119840120) is (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is JLYXJRLSORRDDW-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9(14)13(21)20-5-3-19(4-6-20)12-10-7-17-18(2)11(10)15-8-16-12/h7-9H,3-6,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 289.34 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119840120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).