1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H22N6O3 — CID 56892565

IUPAC1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(c3cncc(C(N)=O)n3)CC2)n1
InChIInChI=1S/C17H22N6O3/c1-11(2)12-3-6-23(21-12)17(16(25)26)4-7-22(8-5-17)14-10-19-9-13(20-14)15(18)24/h3,6,9-11H,4-5,7-8H2,1-2H3,(H2,18,24)(H,25,26)
InChIKeyIIQCEQHFVWBVEG-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.98
Rot. Bonds5

About 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56892565) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56892565
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(c3cncc(C(N)=O)n3)CC2)n1
InChIInChI=1S/C17H22N6O3/c1-11(2)12-3-6-23(21-12)17(16(25)26)4-7-22(8-5-17)14-10-19-9-13(20-14)15(18)24/h3,6,9-11H,4-5,7-8H2,1-2H3,(H2,18,24)(H,25,26)
InChIKeyIIQCEQHFVWBVEG-UHFFFAOYSA-N
XLogP0.98
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-tert-butyl-1H-pyrazol-1-yl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 56883912
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56888148
1-[4-(aminocarbonyl)pyridin-2-yl]-4-(3-isopropyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56902201
1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-isopropyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56905619
1-(2-amino-6-methylpyrimidin-4-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56909040
1-(4-aminopyrimidin-2-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912523
4-(3-tert-butyl-1H-pyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
CID 56913104
1-(2-aminopyrimidin-4-yl)-4-(3-tert-butyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 70751067
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[(2-methyl-1H-imidazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 56883343
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidine-4-carboxylic acid
CID 56896379
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[4-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56905596
4-(3-tert-butyl-1H-pyrazol-1-yl)-1-[(2-isopropylpyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
CID 70731290

Frequently Asked Questions

What is the IUPAC name of 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56892565) is 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is CC(C)c1ccn(C2(C(=O)O)CCN(c3cncc(C(N)=O)n3)CC2)n1.
What is the InChIKey of 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is IIQCEQHFVWBVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-11(2)12-3-6-23(21-12)17(16(25)26)4-7-22(8-5-17)14-10-19-9-13(20-14)15(18)24/h3,6,9-11H,4-5,7-8H2,1-2H3,(H2,18,24)(H,25,26).
What are the key properties of 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-carbamoylpyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56892565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).