cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane

C109H125Co35FN24O8S — CID 165101625

About cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane

cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane (PubChem CID 165101625) has the molecular formula C109H125Co35FN24O8S and a molecular weight of 4013.08 g/mol. Its IUPAC name is cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane.

Molecular Properties

• Compound Name: cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane
• PubChem CID: 165101625
• Molecular Formula: C109H125Co35FN24O8S
• Molecular Weight: 4013.08 g/mol
• Exact Mass: 4011.64
• IUPAC Name: cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane
• SMILES: COc1cc(F)cc(N(CCN2CCCOCC2)c2ccc3ncc(-c4ccn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2cc(C)nc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(CC(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC[C@H]2CC#N)c2ccc3ncc(-c4ccn(C)c4)nc3c2)c1.S.[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/C29H32N6O2.C28H31N7O2.C27H30FN5O2.C25H30N6O2.35Co.H2S/c1-33-12-9-21(20-33)29-19-31-27-7-6-23(17-28(27)32-29)35(14-13-34-11-4-5-22(34)8-10-30)24-15-25(36-2)18-26(16-24)37-3;1-19-17-34(20(2)31-19)9-6-10-35(23-11-24(36-4)14-25(12-23)37-5)22-7-8-26-27(13-22)32-28(16-29-26)21-15-30-33(3)18-21;1-31-8-6-20(19-31)27-18-29-25-5-4-22(17-26(25)30-27)33(10-9-32-7-3-12-35-13-11-32)23-14-21(28)15-24(16-23)34-2;1-17(2)15-30-16-18(13-28-30)25-14-27-23-6-5-19(11-24(23)29-25)31(8-7-26)20-9-21(32-3)12-22(10-20)33-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-7,9,12,15-20,22H,4-5,8,11,13-14H2,1-3H3;7-8,11-18H,6,9-10H2,1-5H3;4-6,8,14-19H,3,7,9-13H2,1-2H3;5-6,9-14,16-17H,7-8,15,26H2,1-4H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H2/t22-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0......................................./s1
• InChIKey: YKSARQJRNBBHNZ-SVZIVCTFSA-N
• XLogP: 19.19
• TPSA: 309.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4013.08
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane?

The IUPAC name of cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane (CID 165101625) is cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane.

What is the SMILES notation for cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane?

The canonical SMILES for cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane is COc1cc(F)cc(N(CCN2CCCOCC2)c2ccc3ncc(-c4ccn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2cc(C)nc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(CC(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC[C@H]2CC#N)c2ccc3ncc(-c4ccn(C)c4)nc3c2)c1.S.[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;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane?

The InChIKey is YKSARQJRNBBHNZ-SVZIVCTFSA-N. The full InChI is InChI=1S/C29H32N6O2.C28H31N7O2.C27H30FN5O2.C25H30N6O2.35Co.H2S/c1-33-12-9-21(20-33)29-19-31-27-7-6-23(17-28(27)32-29)35(14-13-34-11-4-5-22(34)8-10-30)24-15-25(36-2)18-26(16-24)37-3;1-19-17-34(20(2)31-19)9-6-10-35(23-11-24(36-4)14-25(12-23)37-5)22-7-8-26-27(13-22)32-28(16-29-26)21-15-30-33(3)18-21;1-31-8-6-20(19-31)27-18-29-25-5-4-22(17-26(25)30-27)33(10-9-32-7-3-12-35-13-11-32)23-14-21(28)15-24(16-23)34-2;1-17(2)15-30-16-18(13-28-30)25-14-27-23-6-5-19(11-24(23)29-25)31(8-7-26)20-9-21(32-3)12-22(10-20)33-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-7,9,12,15-20,22H,4-5,8,11,13-14H2,1-3H3;7-8,11-18H,6,9-10H2,1-5H3;4-6,8,14-19H,3,7,9-13H2,1-2H3;5-6,9-14,16-17H,7-8,15,26H2,1-4H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H2/t22-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0......................................./s1.

What are the key properties of cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane?

cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane has a molecular weight of 4013.08 g/mol, XLogP of 19.19, 34 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;2-[(2S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-yl]acetonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,4-dimethylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(2-methylpropyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrrol-3-yl)-N-[2-(1,4-oxazepan-4-yl)ethyl]quinoxalin-6-amine;sulfane is sourced from PubChem (CID 165101625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).