3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid

C21H24N6O2 — CID 127028602

IUPAC3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid
SMILESO=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C21H24N6O2/c28-20(29)7-11-22-21-24-18(15-19(25-21)27-12-4-10-23-27)26-13-8-17(9-14-26)16-5-2-1-3-6-16/h1-6,10,12,15,17H,7-9,11,13-14H2,(H,28,29)(H,22,24,25)
InChIKeySZVIONJDVJGJAN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.93
Rot. Bonds7

About 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid

3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid (PubChem CID 127028602) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid
PubChem CID127028602
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid
SMILESO=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C21H24N6O2/c28-20(29)7-11-22-21-24-18(15-19(25-21)27-12-4-10-23-27)26-13-8-17(9-14-26)16-5-2-1-3-6-16/h1-6,10,12,15,17H,7-9,11,13-14H2,(H,28,29)(H,22,24,25)
InChIKeySZVIONJDVJGJAN-UHFFFAOYSA-N
XLogP2.93
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid?
The IUPAC name of 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid (CID 127028602) is 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid is O=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid?
The InChIKey is SZVIONJDVJGJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-20(29)7-11-22-21-24-18(15-19(25-21)27-12-4-10-23-27)26-13-8-17(9-14-26)16-5-2-1-3-6-16/h1-6,10,12,15,17H,7-9,11,13-14H2,(H,28,29)(H,22,24,25).
What are the key properties of 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid?
3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid is sourced from PubChem (CID 127028602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).