(2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine

C107H131F2N25O9 — CID 158361067

About (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine

(2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine (PubChem CID 158361067) has the molecular formula C107H131F2N25O9 and a molecular weight of 1949.39 g/mol. Its IUPAC name is (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine.

Molecular Properties

• Compound Name: (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine
• PubChem CID: 158361067
• Molecular Formula: C107H131F2N25O9
• Molecular Weight: 1949.39 g/mol
• Exact Mass: 1948.05
• IUPAC Name: (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine
• SMILES: CCCN1CCN(CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)CC1.CCCNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCN(CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1)C(C)C.COc1cc(OC)cc(N(C[C@H](O)CNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C29H37N7O2.C27H34N6O2.C26H30F2N6O3.C25H30N6O2/c1-5-8-34-9-11-35(12-10-34)13-14-36(24-15-25(37-3)18-26(16-24)38-4)23-6-7-27-28(17-23)32-29(20-30-27)22-19-31-33(2)21-22;1-7-32(19(2)3)10-11-33(22-12-23(34-5)15-24(13-22)35-6)21-8-9-25-26(14-21)30-27(17-28-25)20-16-29-31(4)18-20;1-26(27,28)16-29-12-20(35)15-34(19-7-21(36-3)10-22(8-19)37-4)18-5-6-23-24(9-18)32-25(13-30-23)17-11-31-33(2)14-17;1-5-8-26-9-10-31(20-11-21(32-3)14-22(12-20)33-4)19-6-7-23-24(13-19)29-25(16-27-23)18-15-28-30(2)17-18/h6-7,15-21H,5,8-14H2,1-4H3;8-9,12-19H,7,10-11H2,1-6H3;5-11,13-14,20,29,35H,12,15-16H2,1-4H3;6-7,11-17,26H,5,8-10H2,1-4H3/t;;20-;/m..1./s1
• InChIKey: GTMAEGMYCCSKBJ-YSNQCXDCSA-N
• XLogP: 17.11
• TPSA: 315.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1949.39
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine?

The IUPAC name of (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine (CID 158361067) is (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine.

What is the SMILES notation for (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine?

The canonical SMILES for (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine is CCCN1CCN(CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)CC1.CCCNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCN(CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1)C(C)C.COc1cc(OC)cc(N(C[C@H](O)CNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine?

The InChIKey is GTMAEGMYCCSKBJ-YSNQCXDCSA-N. The full InChI is InChI=1S/C29H37N7O2.C27H34N6O2.C26H30F2N6O3.C25H30N6O2/c1-5-8-34-9-11-35(12-10-34)13-14-36(24-15-25(37-3)18-26(16-24)38-4)23-6-7-27-28(17-23)32-29(20-30-27)22-19-31-33(2)21-22;1-7-32(19(2)3)10-11-33(22-12-23(34-5)15-24(13-22)35-6)21-8-9-25-26(14-21)30-27(17-28-25)20-16-29-31(4)18-20;1-26(27,28)16-29-12-20(35)15-34(19-7-21(36-3)10-22(8-19)37-4)18-5-6-23-24(9-18)32-25(13-30-23)17-11-31-33(2)14-17;1-5-8-26-9-10-31(20-11-21(32-3)14-22(12-20)33-4)19-6-7-23-24(13-19)29-25(16-27-23)18-15-28-30(2)17-18/h6-7,15-21H,5,8-14H2,1-4H3;8-9,12-19H,7,10-11H2,1-6H3;5-11,13-14,20,29,35H,12,15-16H2,1-4H3;6-7,11-17,26H,5,8-10H2,1-4H3/t;;20-;/m..1./s1.

What are the key properties of (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine?

(2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine has a molecular weight of 1949.39 g/mol, XLogP of 17.11, 41 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(2,2-difluoropropylamino)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N-ethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 158361067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).