8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine

C103H108F6N18O9 — CID 158351507

IUPAC8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
SMILESCOc1cc(C)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(Cc5ccc(C)cc5)C(C)(C)C4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNC(C)(C)C4)cn3)c3nccnc23)c1F.Cc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2(C)C)cc1
InChIInChI=1S/C37H38F2N6O3.C29H30F2N6O3.C20H28N4.C17H12F2N2O3/c1-23-6-8-24(9-7-23)21-45-17-16-44(22-37(45,2)3)20-25-10-13-30(42-19-25)43-36(46)27-12-11-26(34-35(27)41-15-14-40-34)31-32(38)28(47-4)18-29(48-5)33(31)39;1-29(2)16-37(12-11-35-29)15-17-5-8-22(34-14-17)36-28(38)19-7-6-18(26-27(19)33-10-9-32-26)23-24(30)20(39-3)13-21(40-4)25(23)31;1-16-4-6-17(7-5-16)14-24-11-10-23(15-20(24,2)3)13-18-8-9-19(21)22-12-18;1-8-7-11(24-2)14(19)12(13(8)18)9-3-4-10(17(22)23)16-15(9)20-5-6-21-16/h6-15,18-19H,16-17,20-22H2,1-5H3,(H,42,43,46);5-10,13-14,35H,11-12,15-16H2,1-4H3,(H,34,36,38);4-9,12H,10-11,13-15H2,1-3H3,(H2,21,22);3-7H,1-2H3,(H,22,23)
InChIKeyGSJITFUROMVXAZ-UHFFFAOYSA-N
MW1856.10 g/mol
LogP17.73
Rot. Bonds23

About 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine

8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 158351507) has the molecular formula C103H108F6N18O9 and a molecular weight of 1856.10 g/mol. Its IUPAC name is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
PubChem CID158351507
Molecular FormulaC103H108F6N18O9
Molecular Weight1856.10 g/mol
Exact Mass1854.85
IUPAC Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
SMILESCOc1cc(C)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(Cc5ccc(C)cc5)C(C)(C)C4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNC(C)(C)C4)cn3)c3nccnc23)c1F.Cc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2(C)C)cc1
InChIInChI=1S/C37H38F2N6O3.C29H30F2N6O3.C20H28N4.C17H12F2N2O3/c1-23-6-8-24(9-7-23)21-45-17-16-44(22-37(45,2)3)20-25-10-13-30(42-19-25)43-36(46)27-12-11-26(34-35(27)41-15-14-40-34)31-32(38)28(47-4)18-29(48-5)33(31)39;1-29(2)16-37(12-11-35-29)15-17-5-8-22(34-14-17)36-28(38)19-7-6-18(26-27(19)33-10-9-32-26)23-24(30)20(39-3)13-21(40-4)25(23)31;1-16-4-6-17(7-5-16)14-24-11-10-23(15-20(24,2)3)13-18-8-9-19(21)22-12-18;1-8-7-11(24-2)14(19)12(13(8)18)9-3-4-10(17(22)23)16-15(9)20-5-6-21-16/h6-15,18-19H,16-17,20-22H2,1-5H3,(H,42,43,46);5-10,13-14,35H,11-12,15-16H2,1-4H3,(H,34,36,38);4-9,12H,10-11,13-15H2,1-3H3,(H2,21,22);3-7H,1-2H3,(H,22,23)
InChIKeyGSJITFUROMVXAZ-UHFFFAOYSA-N
XLogP17.73
TPSA311.91 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001856.10
LogP ≤ 517.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine (CID 158351507) is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine is COc1cc(C)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(Cc5ccc(C)cc5)C(C)(C)C4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNC(C)(C)C4)cn3)c3nccnc23)c1F.Cc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2(C)C)cc1.
What is the InChIKey of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is GSJITFUROMVXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38F2N6O3.C29H30F2N6O3.C20H28N4.C17H12F2N2O3/c1-23-6-8-24(9-7-23)21-45-17-16-44(22-37(45,2)3)20-25-10-13-30(42-19-25)43-36(46)27-12-11-26(34-35(27)41-15-14-40-34)31-32(38)28(47-4)18-29(48-5)33(31)39;1-29(2)16-37(12-11-35-29)15-17-5-8-22(34-14-17)36-28(38)19-7-6-18(26-27(19)33-10-9-32-26)23-24(30)20(39-3)13-21(40-4)25(23)31;1-16-4-6-17(7-5-16)14-24-11-10-23(15-20(24,2)3)13-18-8-9-19(21)22-12-18;1-8-7-11(24-2)14(19)12(13(8)18)9-3-4-10(17(22)23)16-15(9)20-5-6-21-16/h6-15,18-19H,16-17,20-22H2,1-5H3,(H,42,43,46);5-10,13-14,35H,11-12,15-16H2,1-4H3,(H,34,36,38);4-9,12H,10-11,13-15H2,1-3H3,(H2,21,22);3-7H,1-2H3,(H,22,23).
What are the key properties of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 1856.10 g/mol, XLogP of 17.73, 23 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;5-[[3,3-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 158351507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).