cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane

C103H125Co46F2N23O8 — CID 158365085

IUPACcobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane
SMILESC.C.C.COc1cc(O)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(O)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2(CNC(C)C)CCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H](C)N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)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]
InChIInChI=1S/C29H36N6O2.C25H28F2N6O2.C23H26N6O2.C23H23N5O2.3CH4.46Co/c1-20(2)31-18-29(9-6-10-29)19-35(23-11-24(36-4)14-25(12-23)37-5)22-7-8-26-27(13-22)33-28(16-30-26)21-15-32-34(3)17-21;1-25(26,27)16-28-7-4-8-33(19-9-20(34)12-21(10-19)35-3)18-5-6-22-23(11-18)31-24(14-29-22)17-13-30-32(2)15-17;1-15(24)13-29(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)27-23(12-25-21)16-11-26-28(2)14-16;1-27-14-16(11-25-27)23-12-24-21-6-5-17(9-22(21)26-23)28(13-15-3-4-15)18-7-19(29)10-20(8-18)30-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h7-8,11-17,20,31H,6,9-10,18-19H2,1-5H3;5-6,9-15,28,34H,4,7-8,16H2,1-3H3;5-12,14-15H,13,24H2,1-4H3;5-12,14-15,29H,3-4,13H2,1-2H3;3*1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;15-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m..0................................................../s1
InChIKeyGTXYCDHWAZOCCJ-PZWPLBHGSA-N
MW4562.20 g/mol
LogP19.49
Rot. Bonds33

About cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane

cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane (PubChem CID 158365085) has the molecular formula C103H125Co46F2N23O8 and a molecular weight of 4562.20 g/mol. Its IUPAC name is cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane.

Molecular Properties

Compound Namecobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane
PubChem CID158365085
Molecular FormulaC103H125Co46F2N23O8
Molecular Weight4562.20 g/mol
Exact Mass4560.93
IUPAC Namecobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane
SMILESC.C.C.COc1cc(O)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(O)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2(CNC(C)C)CCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H](C)N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)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]
InChIInChI=1S/C29H36N6O2.C25H28F2N6O2.C23H26N6O2.C23H23N5O2.3CH4.46Co/c1-20(2)31-18-29(9-6-10-29)19-35(23-11-24(36-4)14-25(12-23)37-5)22-7-8-26-27(13-22)33-28(16-30-26)21-15-32-34(3)17-21;1-25(26,27)16-28-7-4-8-33(19-9-20(34)12-21(10-19)35-3)18-5-6-22-23(11-18)31-24(14-29-22)17-13-30-32(2)15-17;1-15(24)13-29(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)27-23(12-25-21)16-11-26-28(2)14-16;1-27-14-16(11-25-27)23-12-24-21-6-5-17(9-22(21)26-23)28(13-15-3-4-15)18-7-19(29)10-20(8-18)30-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h7-8,11-17,20,31H,6,9-10,18-19H2,1-5H3;5-6,9-15,28,34H,4,7-8,16H2,1-3H3;5-12,14-15H,13,24H2,1-4H3;5-12,14-15,29H,3-4,13H2,1-2H3;3*1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;15-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m..0................................................../s1
InChIKeyGTXYCDHWAZOCCJ-PZWPLBHGSA-N
XLogP19.49
TPSA333.28 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004562.20
LogP ≤ 519.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane?
The IUPAC name of cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane (CID 158365085) is cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane.
What is the SMILES notation for cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane?
The canonical SMILES for cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane is C.C.C.COc1cc(O)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(O)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2(CNC(C)C)CCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H](C)N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)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;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane?
The InChIKey is GTXYCDHWAZOCCJ-PZWPLBHGSA-N. The full InChI is InChI=1S/C29H36N6O2.C25H28F2N6O2.C23H26N6O2.C23H23N5O2.3CH4.46Co/c1-20(2)31-18-29(9-6-10-29)19-35(23-11-24(36-4)14-25(12-23)37-5)22-7-8-26-27(13-22)33-28(16-30-26)21-15-32-34(3)17-21;1-25(26,27)16-28-7-4-8-33(19-9-20(34)12-21(10-19)35-3)18-5-6-22-23(11-18)31-24(14-29-22)17-13-30-32(2)15-17;1-15(24)13-29(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)27-23(12-25-21)16-11-26-28(2)14-16;1-27-14-16(11-25-27)23-12-24-21-6-5-17(9-22(21)26-23)28(13-15-3-4-15)18-7-19(29)10-20(8-18)30-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h7-8,11-17,20,31H,6,9-10,18-19H2,1-5H3;5-6,9-15,28,34H,4,7-8,16H2,1-3H3;5-12,14-15H,13,24H2,1-4H3;5-12,14-15,29H,3-4,13H2,1-2H3;3*1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t;;15-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m..0................................................../s1.
What are the key properties of cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane?
cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane has a molecular weight of 4562.20 g/mol, XLogP of 19.49, 33 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;3-[3-(2,2-difluoropropylamino)propyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxyphenol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[[1-[(propan-2-ylamino)methyl]cyclobutyl]methyl]quinoxalin-6-amine;(2S)-1-N-(3,5-dimethoxyphenyl)-1-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,2-diamine;methane is sourced from PubChem (CID 158365085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).