1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid

C21H17N5O5 — CID 170350985

IUPAC1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4nc(C(=O)O)n5ccncc45)c3)no2)C1=O
InChIInChI=1S/C21H17N5O5/c1-25-7-5-21(30,20(25)29)16-10-14(24-31-16)12-3-2-4-13(9-12)17-15-11-22-6-8-26(15)18(23-17)19(27)28/h2-4,6,8-11,30H,5,7H2,1H3,(H,27,28)
InChIKeyIBAGCGALFKDHLX-UHFFFAOYSA-N
MW419.40 g/mol
LogP1.80
Rot. Bonds4

About 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid

1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 170350985) has the molecular formula C21H17N5O5 and a molecular weight of 419.40 g/mol. Its IUPAC name is 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID170350985
Molecular FormulaC21H17N5O5
Molecular Weight419.40 g/mol
Exact Mass419.12
IUPAC Name1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4nc(C(=O)O)n5ccncc45)c3)no2)C1=O
InChIInChI=1S/C21H17N5O5/c1-25-7-5-21(30,20(25)29)16-10-14(24-31-16)12-3-2-4-13(9-12)17-15-11-22-6-8-26(15)18(23-17)19(27)28/h2-4,6,8-11,30H,5,7H2,1H3,(H,27,28)
InChIKeyIBAGCGALFKDHLX-UHFFFAOYSA-N
XLogP1.80
TPSA134.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-methylpyridine-2-carboxamide
CID 170575200
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
CID 175964567
(3R)-3-hydroxy-1-methyl-3-[3-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170413300
3-[3-[3-(2-aminoquinazolin-8-yl)phenyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350733
(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 175964542
(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326465
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide
CID 170575198
2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
CID 170350937
6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid
CID 170350528
2-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]-5-[[(1-methylpyrazol-3-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 170350913
3-[3-(3-bromo-4-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350588
N-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 177263014

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid (CID 170350985) is 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid is CN1CCC(O)(c2cc(-c3cccc(-c4nc(C(=O)O)n5ccncc45)c3)no2)C1=O.
What is the InChIKey of 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is IBAGCGALFKDHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O5/c1-25-7-5-21(30,20(25)29)16-10-14(24-31-16)12-3-2-4-13(9-12)17-15-11-22-6-8-26(15)18(23-17)19(27)28/h2-4,6,8-11,30H,5,7H2,1H3,(H,27,28).
What are the key properties of 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid?
1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 419.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 170350985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).