N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide

C104H120Cl2Co58F2N24O6 — CID 165070304

IUPACN-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide
SMILESCC(C)NCCN(c1cc(Cl)cc(Cl)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCN(CC)Cc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCC(=O)NCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(CCCC)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].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co]
InChIInChI=1S/C31H41N7O.C26H28F2N6O3.C24H27N5O2.C23H24Cl2N6.58Co/c1-5-36(6-2)22-24-16-27(18-28(17-24)39-4)38(15-9-14-37-12-7-8-13-37)26-10-11-29-30(19-26)34-31(21-32-29)25-20-33-35(3)23-25;1-26(27,28)16-30-25(35)7-8-34(19-9-20(36-3)12-21(10-19)37-4)18-5-6-22-23(11-18)32-24(14-29-22)17-13-31-33(2)15-17;1-5-6-9-29(19-10-20(30-3)13-21(11-19)31-4)18-7-8-22-23(12-18)27-24(15-25-22)17-14-26-28(2)16-17;1-15(2)26-6-7-31(20-9-17(24)8-18(25)10-20)19-4-5-21-22(11-19)29-23(13-27-21)16-12-28-30(3)14-16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10-11,16-21,23H,5-9,12-15,22H2,1-4H3;5-6,9-15H,7-8,16H2,1-4H3,(H,30,35);7-8,10-16H,5-6,9H2,1-4H3;4-5,8-15,26H,6-7H2,1-3H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/i;;3D3,4D3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeySQNMNYYCAMEJPR-MCYFZKBCSA-N
MW5335.32 g/mol
LogP20.17
Rot. Bonds39

About N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide

N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide (PubChem CID 165070304) has the molecular formula C104H120Cl2Co58F2N24O6 and a molecular weight of 5335.32 g/mol. Its IUPAC name is N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide.

Molecular Properties

Compound NameN-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide
PubChem CID165070304
Molecular FormulaC104H120Cl2Co58F2N24O6
Molecular Weight5335.32 g/mol
Exact Mass5333.08
IUPAC NameN-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide
SMILESCC(C)NCCN(c1cc(Cl)cc(Cl)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCN(CC)Cc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCC(=O)NCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(CCCC)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].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co]
InChIInChI=1S/C31H41N7O.C26H28F2N6O3.C24H27N5O2.C23H24Cl2N6.58Co/c1-5-36(6-2)22-24-16-27(18-28(17-24)39-4)38(15-9-14-37-12-7-8-13-37)26-10-11-29-30(19-26)34-31(21-32-29)25-20-33-35(3)23-25;1-26(27,28)16-30-25(35)7-8-34(19-9-20(36-3)12-21(10-19)37-4)18-5-6-22-23(11-18)32-24(14-29-22)17-13-31-33(2)15-17;1-5-6-9-29(19-10-20(30-3)13-21(11-19)31-4)18-7-8-22-23(12-18)27-24(15-25-22)17-14-26-28(2)16-17;1-15(2)26-6-7-31(20-9-17(24)8-18(25)10-20)19-4-5-21-22(11-19)29-23(13-27-21)16-12-28-30(3)14-16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10-11,16-21,23H,5-9,12-15,22H2,1-4H3;5-6,9-15H,7-8,16H2,1-4H3,(H,30,35);7-8,10-16H,5-6,9H2,1-4H3;4-5,8-15,26H,6-7H2,1-3H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/i;;3D3,4D3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeySQNMNYYCAMEJPR-MCYFZKBCSA-N
XLogP20.17
TPSA281.12 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005335.32
LogP ≤ 520.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide?
The IUPAC name of N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide (CID 165070304) is N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide.
What is the SMILES notation for N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide?
The canonical SMILES for N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide is CC(C)NCCN(c1cc(Cl)cc(Cl)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCN(CC)Cc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCC(=O)NCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(CCCC)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].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co].
What is the InChIKey of N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide?
The InChIKey is SQNMNYYCAMEJPR-MCYFZKBCSA-N. The full InChI is InChI=1S/C31H41N7O.C26H28F2N6O3.C24H27N5O2.C23H24Cl2N6.58Co/c1-5-36(6-2)22-24-16-27(18-28(17-24)39-4)38(15-9-14-37-12-7-8-13-37)26-10-11-29-30(19-26)34-31(21-32-29)25-20-33-35(3)23-25;1-26(27,28)16-30-25(35)7-8-34(19-9-20(36-3)12-21(10-19)37-4)18-5-6-22-23(11-18)32-24(14-29-22)17-13-31-33(2)15-17;1-5-6-9-29(19-10-20(30-3)13-21(11-19)31-4)18-7-8-22-23(12-18)27-24(15-25-22)17-14-26-28(2)16-17;1-15(2)26-6-7-31(20-9-17(24)8-18(25)10-20)19-4-5-21-22(11-19)29-23(13-27-21)16-12-28-30(3)14-16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10-11,16-21,23H,5-9,12-15,22H2,1-4H3;5-6,9-15H,7-8,16H2,1-4H3,(H,30,35);7-8,10-16H,5-6,9H2,1-4H3;4-5,8-15,26H,6-7H2,1-3H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/i;;3D3,4D3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide?
N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide has a molecular weight of 5335.32 g/mol, XLogP of 20.17, 39 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trideuteriomethoxy)phenyl]-N-butyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;N'-(3,5-dichlorophenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propanamide is sourced from PubChem (CID 165070304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).