N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone

C133H115BrN16O9 — CID 158563658

About N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone

N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone (PubChem CID 158563658) has the molecular formula C133H115BrN16O9 and a molecular weight of 2161.39 g/mol. Its IUPAC name is N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

• Compound Name: N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone
• PubChem CID: 158563658
• Molecular Formula: C133H115BrN16O9
• Molecular Weight: 2161.39 g/mol
• Exact Mass: 2158.82
• IUPAC Name: N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone
• SMILES: CC(=O)C1=C(c2cccc3ccccc23)CC(c2ccnc3ccccc23)=C1C.CC(=O)C1=C(c2ccccc2)CC(c2ccnc(N(C(C)=O)C(C)=O)n2)=C1.CC(=O)c1c(-c2ccncc2)[nH]c(-c2ccnc3ccccc23)c1C.Cc1cc(-c2cnc3c(c2)CCC3)c(C)n1-c1cccc(O)c1.Cc1cc(-c2cnc3ccccc3n2)c(C)n1-c1ccccc1.Cc1ccc(C(=O)Nc2cc(-c3cc(C)n(-c4ccc(Br)cc4)c3C)[nH]n2)cc1.O=C=O
• InChI: InChI=1S/C27H21NO.C23H21BrN4O.C21H19N3O3.C21H17N3O.C20H17N3.C20H20N2O.CO2/c1-17-24(22-14-15-28-26-13-6-5-11-23(22)26)16-25(27(17)18(2)29)21-12-7-9-19-8-3-4-10-20(19)21;1-14-4-6-17(7-5-14)23(29)25-22-13-21(26-27-22)20-12-15(2)28(16(20)3)19-10-8-18(24)9-11-19;1-13(25)18-11-17(12-19(18)16-7-5-4-6-8-16)20-9-10-22-21(23-20)24(14(2)26)15(3)27;1-13-19(14(2)25)21(15-7-10-22-11-8-15)24-20(13)17-9-12-23-18-6-4-3-5-16(17)18;1-14-12-17(15(2)23(14)16-8-4-3-5-9-16)20-13-21-18-10-6-7-11-19(18)22-20;1-13-9-19(16-10-15-5-3-8-20(15)21-12-16)14(2)22(13)17-6-4-7-18(23)11-17;2-1-3/h3-15H,16H2,1-2H3;4-13H,1-3H3,(H2,25,26,27,29);4-11H,12H2,1-3H3;3-12,24H,1-2H3;3-13H,1-2H3;4,6-7,9-12,23H,3,5,8H2,1-2H3
• InChIKey: HREVPOUFJMOBLZ-UHFFFAOYSA-N
• XLogP: 28.90
• TPSA: 334.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.39
LogP ≤ 5	28.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone?

The IUPAC name of N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone (CID 158563658) is N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone.

What is the SMILES notation for N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone?

The canonical SMILES for N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone is CC(=O)C1=C(c2cccc3ccccc23)CC(c2ccnc3ccccc23)=C1C.CC(=O)C1=C(c2ccccc2)CC(c2ccnc(N(C(C)=O)C(C)=O)n2)=C1.CC(=O)c1c(-c2ccncc2)[nH]c(-c2ccnc3ccccc23)c1C.Cc1cc(-c2cnc3c(c2)CCC3)c(C)n1-c1cccc(O)c1.Cc1cc(-c2cnc3ccccc3n2)c(C)n1-c1ccccc1.Cc1ccc(C(=O)Nc2cc(-c3cc(C)n(-c4ccc(Br)cc4)c3C)[nH]n2)cc1.O=C=O.

What is the InChIKey of N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone?

The InChIKey is HREVPOUFJMOBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO.C23H21BrN4O.C21H19N3O3.C21H17N3O.C20H17N3.C20H20N2O.CO2/c1-17-24(22-14-15-28-26-13-6-5-11-23(22)26)16-25(27(17)18(2)29)21-12-7-9-19-8-3-4-10-20(19)21;1-14-4-6-17(7-5-14)23(29)25-22-13-21(26-27-22)20-12-15(2)28(16(20)3)19-10-8-18(24)9-11-19;1-13(25)18-11-17(12-19(18)16-7-5-4-6-8-16)20-9-10-22-21(23-20)24(14(2)26)15(3)27;1-13-19(14(2)25)21(15-7-10-22-11-8-15)24-20(13)17-9-12-23-18-6-4-3-5-16(17)18;1-14-12-17(15(2)23(14)16-8-4-3-5-9-16)20-13-21-18-10-6-7-11-19(18)22-20;1-13-9-19(16-10-15-5-3-8-20(15)21-12-16)14(2)22(13)17-6-4-7-18(23)11-17;2-1-3/h3-15H,16H2,1-2H3;4-13H,1-3H3,(H2,25,26,27,29);4-11H,12H2,1-3H3;3-12,24H,1-2H3;3-13H,1-2H3;4,6-7,9-12,23H,3,5,8H2,1-2H3;.

What are the key properties of N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone?

N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone has a molecular weight of 2161.39 g/mol, XLogP of 28.90, 18 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-N-[4-(3-acetyl-4-phenylcyclopenta-1,3-dien-1-yl)pyrimidin-2-yl]acetamide;N-[5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1H-pyrazol-3-yl]-4-methylbenzamide;carbon dioxide;3-[3-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2,5-dimethylpyrrol-1-yl]phenol;2-(2,5-dimethyl-1-phenylpyrrol-3-yl)quinoxaline;1-(5-methyl-2-naphthalen-1-yl-4-quinolin-4-ylcyclopenta-1,4-dien-1-yl)ethanone;1-(4-methyl-2-pyridin-4-yl-5-quinolin-4-yl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 158563658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).