(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid

C17H19N5O2 — CID 122050233

IUPAC(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
SMILESCC(C)C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)O
InChIInChI=1S/C17H19N5O2/c1-11(2)8-14(17(23)24)21-15-13-9-20-22(16(13)19-10-18-15)12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,23,24)(H,18,19,21)/t14-/m0/s1
InChIKeySINSDHSDNQGXRZ-AWEZNQCLSA-N
MW325.37 g/mol
LogP2.73
Rot. Bonds6

About (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid

(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 122050233) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
PubChem CID122050233
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
SMILESCC(C)C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)O
InChIInChI=1S/C17H19N5O2/c1-11(2)8-14(17(23)24)21-15-13-9-20-22(16(13)19-10-18-15)12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,23,24)(H,18,19,21)/t14-/m0/s1
InChIKeySINSDHSDNQGXRZ-AWEZNQCLSA-N
XLogP2.73
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid with MolForge

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Related Compounds

2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-benzhydryl-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 27557651
N-ethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 18199092

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid (CID 122050233) is (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid is CC(C)C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is SINSDHSDNQGXRZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11(2)8-14(17(23)24)21-15-13-9-20-22(16(13)19-10-18-15)12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3,(H,23,24)(H,18,19,21)/t14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid?
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 325.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 122050233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).