2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid

C16H22N6O3 — CID 163317896

IUPAC2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1Nc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C16H22N6O3/c1-10-15(11(2)22(20-10)9-14(24)25)19-16-17-6-5-13(18-16)21-7-3-4-12(23)8-21/h5-6,12,23H,3-4,7-9H2,1-2H3,(H,24,25)(H,17,18,19)
InChIKeyARLIZFBHLUYIOF-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid

2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid (PubChem CID 163317896) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid
PubChem CID163317896
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1Nc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C16H22N6O3/c1-10-15(11(2)22(20-10)9-14(24)25)19-16-17-6-5-13(18-16)21-7-3-4-12(23)8-21/h5-6,12,23H,3-4,7-9H2,1-2H3,(H,24,25)(H,17,18,19)
InChIKeyARLIZFBHLUYIOF-UHFFFAOYSA-N
XLogP1.08
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid with MolForge

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Related Compounds

1-(2-aminopyrimidin-4-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 70751067
(3S)-1-[2-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-yl]piperidin-3-ol
CID 95870797
(3S)-1-[2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidin-3-ol
CID 125446257
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 136574256
1-[[1-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]methyl]piperidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 154890358
(4-{[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 163316841
1-(2-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]amino}pyrimidin-4-yl)piperidin-4-ol
CID 50969021
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(pyrimidin-2-yloxy)piperidin-1-yl]acetamide
CID 50984287
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8595710
[1-Oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425516
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{4-[hydroxy(1-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}acetamide
CID 50957217
1-[2-[(3,5-Dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50967549

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid (CID 163317896) is 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1Nc1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid?
The InChIKey is ARLIZFBHLUYIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-10-15(11(2)22(20-10)9-14(24)25)19-16-17-6-5-13(18-16)21-7-3-4-12(23)8-21/h5-6,12,23H,3-4,7-9H2,1-2H3,(H,24,25)(H,17,18,19).
What are the key properties of 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid?
2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid has a molecular weight of 346.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 163317896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).