2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine

C114H100F3N23O10 — CID 157390378

About 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine

2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine (PubChem CID 157390378) has the molecular formula C114H100F3N23O10 and a molecular weight of 2009.20 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine.

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine
• PubChem CID: 157390378
• Molecular Formula: C114H100F3N23O10
• Molecular Weight: 2009.20 g/mol
• Exact Mass: 2007.80
• IUPAC Name: 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine
• SMILES: C#Cc1ccc(C#CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc1.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cn(C)nc3C(F)(F)F)nc2c1.COc1cc(OC)cc(N(CC#Cc2cc(OC)nc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2ccccc2C#N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C31H25N5O2.C30H24N6O2.C29H27N7O4.C24H24F3N5O2/c1-5-22-8-10-23(11-9-22)7-6-14-36(26-15-27(37-3)18-28(16-26)38-4)25-12-13-29-30(17-25)34-31(20-32-29)24-19-33-35(2)21-24;1-35-20-23(18-33-35)30-19-32-28-11-10-24(15-29(28)34-30)36(25-13-26(37-2)16-27(14-25)38-3)12-6-9-21-7-4-5-8-22(21)17-31;1-35-18-19(16-31-35)27-17-30-25-9-8-21(14-26(25)33-27)36(22-12-23(37-2)15-24(13-22)38-3)10-6-7-20-11-28(39-4)34-29(32-20)40-5;1-5-8-32(16-9-17(33-3)12-18(10-16)34-4)15-6-7-20-21(11-15)29-22(13-28-20)19-14-31(2)30-23(19)24(25,26)27/h1,8-13,15-21H,14H2,2-4H3;4-5,7-8,10-11,13-16,18-20H,12H2,1-3H3;8-9,11-18H,10H2,1-5H3;6-7,9-14H,5,8H2,1-4H3
• InChIKey: BLXXPLJZZAQMCF-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 329.23 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.20
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine?

The IUPAC name of 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine (CID 157390378) is 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine.

What is the SMILES notation for 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine?

The canonical SMILES for 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine is C#Cc1ccc(C#CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc1.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cn(C)nc3C(F)(F)F)nc2c1.COc1cc(OC)cc(N(CC#Cc2cc(OC)nc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2ccccc2C#N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine?

The InChIKey is BLXXPLJZZAQMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O2.C30H24N6O2.C29H27N7O4.C24H24F3N5O2/c1-5-22-8-10-23(11-9-22)7-6-14-36(26-15-27(37-3)18-28(16-26)38-4)25-12-13-29-30(17-25)34-31(20-32-29)24-19-33-35(2)21-24;1-35-20-23(18-33-35)30-19-32-28-11-10-24(15-29(28)34-30)36(25-13-26(37-2)16-27(14-25)38-3)12-6-9-21-7-4-5-8-22(21)17-31;1-35-18-19(16-31-35)27-17-30-25-9-8-21(14-26(25)33-27)36(22-12-23(37-2)15-24(13-22)38-3)10-6-7-20-11-28(39-4)34-29(32-20)40-5;1-5-8-32(16-9-17(33-3)12-18(10-16)34-4)15-6-7-20-21(11-15)29-22(13-28-20)19-14-31(2)30-23(19)24(25,26)27/h1,8-13,15-21H,14H2,2-4H3;4-5,7-8,10-11,13-16,18-20H,12H2,1-3H3;8-9,11-18H,10H2,1-5H3;6-7,9-14H,5,8H2,1-4H3.

What are the key properties of 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine?

2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine has a molecular weight of 2009.20 g/mol, XLogP of 19.99, 27 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]benzonitrile;N-(3,5-dimethoxyphenyl)-N-[3-(2,6-dimethoxypyrimidin-4-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-ethynylphenyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine is sourced from PubChem (CID 157390378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).