1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H18N6O3 — CID 56889173

IUPAC1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cn4cccnc4n3)CC2)c1
InChIInChI=1S/C17H18N6O3/c1-12-9-19-23(10-12)17(15(25)26)3-7-21(8-4-17)14(24)13-11-22-6-2-5-18-16(22)20-13/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,25,26)
InChIKeyZYKUNDUVEMEFCF-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.95
Rot. Bonds3

About 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56889173) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56889173
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cn4cccnc4n3)CC2)c1
InChIInChI=1S/C17H18N6O3/c1-12-9-19-23(10-12)17(15(25)26)3-7-21(8-4-17)14(24)13-11-22-6-2-5-18-16(22)20-13/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,25,26)
InChIKeyZYKUNDUVEMEFCF-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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Related Compounds

Imidazo[1,2-a]pyrimidin-2-yl-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53569583
4-(4-methyl-1H-pyrazol-1-yl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)piperidine-4-carboxylic acid
CID 56899929
({5-[1-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine
CID 70704325
[4-(4-Tert-butyltriazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 154885764
pyrazin-2-yl-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155825699
2-({4-[(4-tert-butyl-1H-1,2,3-triazol-1-yl)methyl]piperidin-1-yl}carbonyl)imidazo[1,2-a]pyrimidine
CID 46986105
Imidazo[1,2-a]pyrimidin-2-yl-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53560359
Imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 53623525
Imidazo[1,2-a]pyrimidin-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56778909
Imidazo[1,2-a]pyrimidin-2-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56779088
4-(1H-imidazol-1-yl)-1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56885257
1-[6-(aminocarbonyl)pyrazin-2-yl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56885408

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56889173) is 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cn4cccnc4n3)CC2)c1.
What is the InChIKey of 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is ZYKUNDUVEMEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-12-9-19-23(10-12)17(15(25)26)3-7-21(8-4-17)14(24)13-11-22-6-2-5-18-16(22)20-13/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,25,26).
What are the key properties of 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)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 1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56889173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).