7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate

C44H40Cl2N4O5 — CID 159980841

IUPAC7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate
SMILESCCOC(=O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.O=C1NCC(CCO)n2c1cc(-c1cccc(Cl)c1)c2-c1ccccc1
InChIInChI=1S/C23H21ClN2O3.C21H19ClN2O2/c1-2-29-21(27)12-18-14-25-23(28)20-13-19(16-9-6-10-17(24)11-16)22(26(18)20)15-7-4-3-5-8-15;22-16-8-4-7-15(11-16)18-12-19-21(26)23-13-17(9-10-25)24(19)20(18)14-5-2-1-3-6-14/h3-11,13,18H,2,12,14H2,1H3,(H,25,28);1-8,11-12,17,25H,9-10,13H2,(H,23,26)
InChIKeyOFTCGMHOHUWXKL-UHFFFAOYSA-N
MW775.73 g/mol
LogP8.86
Rot. Bonds9

About 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate

7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate (PubChem CID 159980841) has the molecular formula C44H40Cl2N4O5 and a molecular weight of 775.73 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate.

Molecular Properties

Compound Name7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate
PubChem CID159980841
Molecular FormulaC44H40Cl2N4O5
Molecular Weight775.73 g/mol
Exact Mass774.24
IUPAC Name7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate
SMILESCCOC(=O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.O=C1NCC(CCO)n2c1cc(-c1cccc(Cl)c1)c2-c1ccccc1
InChIInChI=1S/C23H21ClN2O3.C21H19ClN2O2/c1-2-29-21(27)12-18-14-25-23(28)20-13-19(16-9-6-10-17(24)11-16)22(26(18)20)15-7-4-3-5-8-15;22-16-8-4-7-15(11-16)18-12-19-21(26)23-13-17(9-10-25)24(19)20(18)14-5-2-1-3-6-14/h3-11,13,18H,2,12,14H2,1H3,(H,25,28);1-8,11-12,17,25H,9-10,13H2,(H,23,26)
InChIKeyOFTCGMHOHUWXKL-UHFFFAOYSA-N
XLogP8.86
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.73
LogP ≤ 58.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate with MolForge

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Related Compounds

3-[[4-[1-[5-Chloro-1-[3-(trifluoromethyl)phenyl]indol-2-yl]heptylamino]benzoyl]-methylamino]propanoic acid;ethyl 3-[[4-[1-[5-chloro-1-[3-(trifluoromethyl)phenyl]indol-2-yl]heptylamino]benzoyl]-methylamino]propanoate
CID 87147303
7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid
CID 90374662
4-(2-aminoethyl)-7-(3-chlorophenyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;4-(2-azidoethyl)-7-(3-chlorophenyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]ethyl methanesulfonate;2,2,2-trifluoroacetic acid
CID 159188895
7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;7-(3-chlorophenyl)-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetaldehyde;2,2,2-trifluoroacetic acid
CID 160449936
7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide
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7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
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2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide
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Ethyl [7-(3-chlorophenyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetate
CID 86731547
Ethyl [7-(3-chlorophenyl)-6-iodo-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetate
CID 86731554
Ethyl [7-(3-chlorophenyl)-1-oxo-6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetate
CID 86731558

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?
The IUPAC name of 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate (CID 159980841) is 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate.
What is the SMILES notation for 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?
The canonical SMILES for 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate is CCOC(=O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.O=C1NCC(CCO)n2c1cc(-c1cccc(Cl)c1)c2-c1ccccc1.
What is the InChIKey of 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?
The InChIKey is OFTCGMHOHUWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3.C21H19ClN2O2/c1-2-29-21(27)12-18-14-25-23(28)20-13-19(16-9-6-10-17(24)11-16)22(26(18)20)15-7-4-3-5-8-15;22-16-8-4-7-15(11-16)18-12-19-21(26)23-13-17(9-10-25)24(19)20(18)14-5-2-1-3-6-14/h3-11,13,18H,2,12,14H2,1H3,(H,25,28);1-8,11-12,17,25H,9-10,13H2,(H,23,26).
What are the key properties of 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?
7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate has a molecular weight of 775.73 g/mol, XLogP of 8.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-4-(2-hydroxyethyl)-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate is sourced from PubChem (CID 159980841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).