3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid

C16H19N5O2 — CID 166288937

IUPAC3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid
SMILESO=C(O)C1CC2CCC1CN(c1cncc(-n3cccn3)n1)C2
InChIInChI=1S/C16H19N5O2/c22-16(23)13-6-11-2-3-12(13)10-20(9-11)14-7-17-8-15(19-14)21-5-1-4-18-21/h1,4-5,7-8,11-13H,2-3,6,9-10H2,(H,22,23)
InChIKeyFRXJVKVOGYECOJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.60
Rot. Bonds3

About 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid

3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid (PubChem CID 166288937) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid.

Molecular Properties

Compound Name3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid
PubChem CID166288937
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid
SMILESO=C(O)C1CC2CCC1CN(c1cncc(-n3cccn3)n1)C2
InChIInChI=1S/C16H19N5O2/c22-16(23)13-6-11-2-3-12(13)10-20(9-11)14-7-17-8-15(19-14)21-5-1-4-18-21/h1,4-5,7-8,11-13H,2-3,6,9-10H2,(H,22,23)
InChIKeyFRXJVKVOGYECOJ-UHFFFAOYSA-N
XLogP1.60
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 146134490
1-[1-(6-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948107
2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine
CID 126894070
3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 171780244
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
CID 55922538
2-(isoquinoline-8-carbonyl)-2-azabicyclo[2.2.2]octane-6-carboxylic acid
CID 136574732
2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]octane-5-carboxylic acid
CID 117050546
(3S,4S)-4-cyclopropyl-1-[6-(dimethylcarbamoyl)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 86283568
(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 156603701
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891335
6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 94032550
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154

Frequently Asked Questions

What is the IUPAC name of 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid?
The IUPAC name of 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid (CID 166288937) is 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid.
What is the SMILES notation for 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid?
The canonical SMILES for 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid is O=C(O)C1CC2CCC1CN(c1cncc(-n3cccn3)n1)C2.
What is the InChIKey of 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid?
The InChIKey is FRXJVKVOGYECOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-16(23)13-6-11-2-3-12(13)10-20(9-11)14-7-17-8-15(19-14)21-5-1-4-18-21/h1,4-5,7-8,11-13H,2-3,6,9-10H2,(H,22,23).
What are the key properties of 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid?
3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyrazol-1-ylpyrazin-2-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid is sourced from PubChem (CID 166288937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).