cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine

C104H109Co46F2N25O10 — CID 158752036

About cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine

cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine (PubChem CID 158752036) has the molecular formula C104H109Co46F2N25O10 and a molecular weight of 4618.10 g/mol. Its IUPAC name is cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine.

Molecular Properties

• Compound Name: cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine
• PubChem CID: 158752036
• Molecular Formula: C104H109Co46F2N25O10
• Molecular Weight: 4618.10 g/mol
• Exact Mass: 4616.80
• IUPAC Name: cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine
• SMILES: COc1cc(OC)cc(N(CC2=NCCN2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@H](C)CN)c1.[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co]
• InChI: InChI=1S/C32H30N6O4.C25H28F2N6O2.C24H25N7O2.C23H26N6O2.46Co/c1-36-20-21(18-34-36)30-19-33-28-11-10-22(16-29(28)35-30)37(23-14-24(41-2)17-25(15-23)42-3)12-6-7-13-38-31(39)26-8-4-5-9-27(26)32(38)40;1-25(26,27)16-28-7-4-8-33(19-9-20(34-2)12-21(10-19)35-3)18-5-6-22-23(11-18)32-24(15-29-22)17-13-30-31-14-17;1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24-25-6-7-26-24)18-8-19(32-2)11-20(9-18)33-3;1-15(11-24)29(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)27-23(13-25-21)16-12-26-28(2)14-16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-5,8-11,14-20H,6-7,12-13H2,1-3H3;5-6,9-15,28H,4,7-8,16H2,1-3H3,(H,30,31);4-5,8-14H,6-7,15H2,1-3H3,(H,25,26);5-10,12-15H,11,24H2,1-4H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;15-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m...1............................................../s1
• InChIKey: INPHLRWQAVKMQF-POPRAKFISA-N
• XLogP: 16.68
• TPSA: 371.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4618.10
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine?

The IUPAC name of cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine (CID 158752036) is cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine.

What is the SMILES notation for cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine?

The canonical SMILES for cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine is COc1cc(OC)cc(N(CC2=NCCN2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@H](C)CN)c1.[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].

What is the InChIKey of cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine?

The InChIKey is INPHLRWQAVKMQF-POPRAKFISA-N. The full InChI is InChI=1S/C32H30N6O4.C25H28F2N6O2.C24H25N7O2.C23H26N6O2.46Co/c1-36-20-21(18-34-36)30-19-33-28-11-10-22(16-29(28)35-30)37(23-14-24(41-2)17-25(15-23)42-3)12-6-7-13-38-31(39)26-8-4-5-9-27(26)32(38)40;1-25(26,27)16-28-7-4-8-33(19-9-20(34-2)12-21(10-19)35-3)18-5-6-22-23(11-18)32-24(15-29-22)17-13-30-31-14-17;1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24-25-6-7-26-24)18-8-19(32-2)11-20(9-18)33-3;1-15(11-24)29(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)27-23(13-25-21)16-12-26-28(2)14-16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-5,8-11,14-20H,6-7,12-13H2,1-3H3;5-6,9-15,28H,4,7-8,16H2,1-3H3,(H,30,31);4-5,8-14H,6-7,15H2,1-3H3,(H,25,26);5-10,12-15H,11,24H2,1-4H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;;15-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m...1............................................../s1.

What are the key properties of cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine?

cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine has a molecular weight of 4618.10 g/mol, XLogP of 16.68, 35 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)butyl]isoindole-1,3-dione;(2R)-2-N-(3,5-dimethoxyphenyl)-2-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine is sourced from PubChem (CID 158752036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).