4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid

C17H18N6O3 — CID 56900526

IUPAC4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnc2c(C(=O)N3CCC(C(=O)O)(n4ccnc4)CC3)cnn2c1
InChIInChI=1S/C17H18N6O3/c1-12-8-19-14-13(9-20-23(14)10-12)15(24)21-5-2-17(3-6-21,16(25)26)22-7-4-18-11-22/h4,7-11H,2-3,5-6H2,1H3,(H,25,26)
InChIKeyJBZIPLSGBLTVAF-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.95
Rot. Bonds3

About 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid

4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56900526) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID56900526
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnc2c(C(=O)N3CCC(C(=O)O)(n4ccnc4)CC3)cnn2c1
InChIInChI=1S/C17H18N6O3/c1-12-8-19-14-13(9-20-23(14)10-12)15(24)21-5-2-17(3-6-21,16(25)26)22-7-4-18-11-22/h4,7-11H,2-3,5-6H2,1H3,(H,25,26)
InChIKeyJBZIPLSGBLTVAF-UHFFFAOYSA-N
XLogP0.95
TPSA105.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid (CID 56900526) is 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid is Cc1cnc2c(C(=O)N3CCC(C(=O)O)(n4ccnc4)CC3)cnn2c1.
What is the InChIKey of 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is JBZIPLSGBLTVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-12-8-19-14-13(9-20-23(14)10-12)15(24)21-5-2-17(3-6-21,16(25)26)22-7-4-18-11-22/h4,7-11H,2-3,5-6H2,1H3,(H,25,26).
What are the key properties of 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid?
4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56900526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).