2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid

C26H25N3O4 — CID 10160635

IUPAC2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
SMILESCCc1c(C(N)=O)c2c(OCC(=O)O)nc(C)cn2c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c1-3-20-21(13-17-9-11-19(12-10-17)18-7-5-4-6-8-18)29-14-16(2)28-26(33-15-22(30)31)24(29)23(20)25(27)32/h4-12,14H,3,13,15H2,1-2H3,(H2,27,32)(H,30,31)
InChIKeyZVBBFLQOLHCOMT-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.03
Rot. Bonds8

About 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid

2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid (PubChem CID 10160635) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
PubChem CID10160635
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
SMILESCCc1c(C(N)=O)c2c(OCC(=O)O)nc(C)cn2c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25N3O4/c1-3-20-21(13-17-9-11-19(12-10-17)18-7-5-4-6-8-18)29-14-16(2)28-26(33-15-22(30)31)24(29)23(20)25(27)32/h4-12,14H,3,13,15H2,1-2H3,(H2,27,32)(H,30,31)
InChIKeyZVBBFLQOLHCOMT-UHFFFAOYSA-N
XLogP4.03
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dibenzyl-3-methyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 10139239
2-(6-benzyl-3,7-dimethyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 22449258
2-(3,6-dibenzyl-7-ethyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 22449253
2-(6-benzyl-3-methyl-8-oxaldehydoyl-7-propylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 142104503
2-[7-ethyl-3-methyl-1-(2-methylperoxyethoxy)-6-[(2-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide
CID 21350114
2-[8-acetyl-6-[[2-(5-ethenylthiophen-2-yl)phenyl]methyl]-7-ethyl-3-methylpyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
CID 142057433
2-[6-[(2-cyclopentylphenyl)methyl]-7-ethyl-8-formyl-3-methylpyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
CID 89324473
2-[6-benzyl-3-methyl-7-(2-methylpropyl)-1-[2-oxo-2-(propan-2-ylsulfonylamino)ethoxy]pyrrolo[1,2-a]pyrazin-8-yl]acetamide
CID 10279378
2-(8-acetyl-7-ethyl-3,6-dimethylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid;butane;formamide;(2Z,4Z)-5-methylocta-2,4-diene
CID 142170578
4-(3-benzyl-2-ethyl-1-oxamoylindolizin-8-yl)oxybutanoic acid
CID 20592756
2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide
CID 10301946
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018

Frequently Asked Questions

What is the IUPAC name of 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid?
The IUPAC name of 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid (CID 10160635) is 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid?
The canonical SMILES for 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid is CCc1c(C(N)=O)c2c(OCC(=O)O)nc(C)cn2c1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid?
The InChIKey is ZVBBFLQOLHCOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-3-20-21(13-17-9-11-19(12-10-17)18-7-5-4-6-8-18)29-14-16(2)28-26(33-15-22(30)31)24(29)23(20)25(27)32/h4-12,14H,3,13,15H2,1-2H3,(H2,27,32)(H,30,31).
What are the key properties of 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid?
2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid has a molecular weight of 443.50 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid is sourced from PubChem (CID 10160635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).