5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid

C18H22N4O2 — CID 110120451

IUPAC5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCC(C)N1CCC(Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1
InChIInChI=1S/C18H22N4O2/c1-12(2)22-4-3-13(11-22)5-16-9-20-10-17(21-16)14-6-15(18(23)24)8-19-7-14/h6-10,12-13H,3-5,11H2,1-2H3,(H,23,24)
InChIKeyVOOSEPHWGLXYOO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds5

About 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid

5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid (PubChem CID 110120451) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
PubChem CID110120451
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCC(C)N1CCC(Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1
InChIInChI=1S/C18H22N4O2/c1-12(2)22-4-3-13(11-22)5-16-9-20-10-17(21-16)14-6-15(18(23)24)8-19-7-14/h6-10,12-13H,3-5,11H2,1-2H3,(H,23,24)
InChIKeyVOOSEPHWGLXYOO-UHFFFAOYSA-N
XLogP2.51
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125011214
5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110120453
5-[6-[[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120519
5-[5-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 125013141
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102304
4-fluoro-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110120546
5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110112089
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
5-[6-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133790
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
3-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]methyl]pyrazin-2-yl]benzoic acid
CID 175660541

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid (CID 110120451) is 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid is CC(C)N1CCC(Cc2cncc(-c3cncc(C(=O)O)c3)n2)C1.
What is the InChIKey of 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is VOOSEPHWGLXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)22-4-3-13(11-22)5-16-9-20-10-17(21-16)14-6-15(18(23)24)8-19-7-14/h6-10,12-13H,3-5,11H2,1-2H3,(H,23,24).
What are the key properties of 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid?
5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 110120451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).