3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride

C137H110BrClN30O8 — CID 176534369

About 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride

3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride (PubChem CID 176534369) has the molecular formula C137H110BrClN30O8 and a molecular weight of 2419.95 g/mol. Its IUPAC name is 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride.

Molecular Properties

• Compound Name: 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride
• PubChem CID: 176534369
• Molecular Formula: C137H110BrClN30O8
• Molecular Weight: 2419.95 g/mol
• Exact Mass: 2416.80
• IUPAC Name: 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride
• SMILES: C.CC(=O)c1nn(-c2cnc3ccccc3n2)c(N)c1C#N.CCc1c(-c2ccc(C)cc2)nn(-c2cnc3ccccc3n2)c1-c1ccc(O)cc1.CCc1cccc(-c2cc(Nc3ccccc3)n(-c3ccnc4ccccc34)n2)c1.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1cc(-c2ccccc2)nn1-c1ncnc2ccccc12.Cl.O=C1c2ccccc2C(=O)N1c1nn(-c2ccnc3[nH]ccc23)cc1Br.O=C=O.O=c1cc(-c2ccccc2)[nH]n1-c1nncc2ccccc12
• InChI: InChI=1S/C26H22N4O.C26H22N4.C18H10BrN5O2.C18H14N4.C17H12N4O.C16H15N3O.C14H10N6O.CO2.CH4.ClH/c1-3-21-25(18-10-8-17(2)9-11-18)29-30(26(21)19-12-14-20(31)15-13-19)24-16-27-22-6-4-5-7-23(22)28-24;1-2-19-9-8-10-20(17-19)24-18-26(28-21-11-4-3-5-12-21)30(29-24)25-15-16-27-23-14-7-6-13-22(23)25;19-13-9-23(14-6-8-21-15-12(14)5-7-20-15)22-16(13)24-17(25)10-3-1-2-4-11(10)18(24)26;1-13-11-17(14-7-3-2-4-8-14)21-22(13)18-15-9-5-6-10-16(15)19-12-20-18;22-16-10-15(12-6-2-1-3-7-12)20-21(16)17-14-9-5-4-8-13(14)11-18-19-17;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-8(21)13-9(6-15)14(16)20(19-13)12-7-17-10-4-2-3-5-11(10)18-12;2-1-3;;/h4-16,31H,3H2,1-2H3;3-18,28H,2H2,1H3;1-9H,(H,20,21);2-12H,1H3;1-11,20H;4-10H,3H2,1-2H3;2-5,7H,16H2,1H3;;1H4;1H
• InChIKey: STPSEOMRZOMQBM-UHFFFAOYSA-N
• XLogP: 27.13
• TPSA: 490.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2419.95
LogP ≤ 5	27.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride?

The IUPAC name of 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride (CID 176534369) is 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride.

What is the SMILES notation for 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride?

The canonical SMILES for 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride is C.CC(=O)c1nn(-c2cnc3ccccc3n2)c(N)c1C#N.CCc1c(-c2ccc(C)cc2)nn(-c2cnc3ccccc3n2)c1-c1ccc(O)cc1.CCc1cccc(-c2cc(Nc3ccccc3)n(-c3ccnc4ccccc34)n2)c1.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1cc(-c2ccccc2)nn1-c1ncnc2ccccc12.Cl.O=C1c2ccccc2C(=O)N1c1nn(-c2ccnc3[nH]ccc23)cc1Br.O=C=O.O=c1cc(-c2ccccc2)[nH]n1-c1nncc2ccccc12.

What is the InChIKey of 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride?

The InChIKey is STPSEOMRZOMQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O.C26H22N4.C18H10BrN5O2.C18H14N4.C17H12N4O.C16H15N3O.C14H10N6O.CO2.CH4.ClH/c1-3-21-25(18-10-8-17(2)9-11-18)29-30(26(21)19-12-14-20(31)15-13-19)24-16-27-22-6-4-5-7-23(22)28-24;1-2-19-9-8-10-20(17-19)24-18-26(28-21-11-4-3-5-12-21)30(29-24)25-15-16-27-23-14-7-6-13-22(23)25;19-13-9-23(14-6-8-21-15-12(14)5-7-20-15)22-16(13)24-17(25)10-3-1-2-4-11(10)18(24)26;1-13-11-17(14-7-3-2-4-8-14)21-22(13)18-15-9-5-6-10-16(15)19-12-20-18;22-16-10-15(12-6-2-1-3-7-12)20-21(16)17-14-9-5-4-8-13(14)11-18-19-17;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-8(21)13-9(6-15)14(16)20(19-13)12-7-17-10-4-2-3-5-11(10)18-12;2-1-3;;/h4-16,31H,3H2,1-2H3;3-18,28H,2H2,1H3;1-9H,(H,20,21);2-12H,1H3;1-11,20H;4-10H,3H2,1-2H3;2-5,7H,16H2,1H3;;1H4;1H.

What are the key properties of 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride?

3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride has a molecular weight of 2419.95 g/mol, XLogP of 27.13, 20 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-5-amino-1-quinoxalin-2-ylpyrazole-4-carbonitrile;2-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]isoindole-1,3-dione;carbon dioxide;4-[4-ethyl-3-(4-methylphenyl)-1-quinoxalin-2-ylpyrazol-5-yl]phenol;3-(3-ethylphenyl)-N-phenyl-1-quinolin-4-ylpyrazol-5-amine;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(5-methyl-3-phenylpyrazol-1-yl)quinazoline;5-phenyl-2-phthalazin-1-yl-1H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 176534369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).