8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid

C17H16N4O3 — CID 166397174

IUPAC8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2ccnc(N3CC[C@@H](Oc4ccccc4)C3)c2n1
InChIInChI=1S/C17H16N4O3/c22-17(23)14-11-21-9-7-18-15(16(21)19-14)20-8-6-13(10-20)24-12-4-2-1-3-5-12/h1-5,7,9,11,13H,6,8,10H2,(H,22,23)/t13-/m1/s1
InChIKeyLHNQRHBWWNHIMM-CYBMUJFWSA-N
MW324.34 g/mol
LogP2.09
Rot. Bonds4

About 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid

8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 166397174) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID166397174
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2ccnc(N3CC[C@@H](Oc4ccccc4)C3)c2n1
InChIInChI=1S/C17H16N4O3/c22-17(23)14-11-21-9-7-18-15(16(21)19-14)20-8-6-13(10-20)24-12-4-2-1-3-5-12/h1-5,7,9,11,13H,6,8,10H2,(H,22,23)/t13-/m1/s1
InChIKeyLHNQRHBWWNHIMM-CYBMUJFWSA-N
XLogP2.09
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 166334168
8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 166378478
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine
CID 163306506
6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 125445677
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 75202956
ethyl 8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 14207617
8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 84685605
1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
CID 75202556
1-[(3S)-3-phenoxypyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 125158129
8-(3-phenylpyrrolidin-1-yl)imidazo[1,2-a]pyrazin-6-amine
CID 80798456

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 166397174) is 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid is O=C(O)c1cn2ccnc(N3CC[C@@H](Oc4ccccc4)C3)c2n1.
What is the InChIKey of 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is LHNQRHBWWNHIMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(23)14-11-21-9-7-18-15(16(21)19-14)20-8-6-13(10-20)24-12-4-2-1-3-5-12/h1-5,7,9,11,13H,6,8,10H2,(H,22,23)/t13-/m1/s1.
What are the key properties of 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid?
8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-phenoxypyrrolidin-1-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166397174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).