4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid

C17H19N7O2 — CID 56885257

IUPAC4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H19N7O2/c1-13-20-14(11-15(21-13)24-7-2-5-19-24)22-8-3-17(4-9-22,16(25)26)23-10-6-18-12-23/h2,5-7,10-12H,3-4,8-9H2,1H3,(H,25,26)
InChIKeyFLDXIIHKICZOSA-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.25
Rot. Bonds4

About 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid

4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 56885257) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID56885257
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H19N7O2/c1-13-20-14(11-15(21-13)24-7-2-5-19-24)22-8-3-17(4-9-22,16(25)26)23-10-6-18-12-23/h2,5-7,10-12H,3-4,8-9H2,1H3,(H,25,26)
InChIKeyFLDXIIHKICZOSA-UHFFFAOYSA-N
XLogP1.25
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 56885257) is 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is FLDXIIHKICZOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-13-20-14(11-15(21-13)24-7-2-5-19-24)22-8-3-17(4-9-22,16(25)26)23-10-6-18-12-23/h2,5-7,10-12H,3-4,8-9H2,1H3,(H,25,26).
What are the key properties of 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 353.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56885257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).