N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane

C89H104F2N18O9 — CID 161178826

About N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane (PubChem CID 161178826) has the molecular formula C89H104F2N18O9 and a molecular weight of 1607.92 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane.

Molecular Properties

• Compound Name: N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane
• PubChem CID: 161178826
• Molecular Formula: C89H104F2N18O9
• Molecular Weight: 1607.92 g/mol
• Exact Mass: 1606.82
• IUPAC Name: N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane
• SMILES: C.C.C.COc1cc(OC)cc(N(CCN2CCC(F)(F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1ccc(OC)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C34H32N6O5.C27H30F2N6O2.C25H30N6O2.3CH4/c1-43-24-11-13-31(44-2)30(18-24)38(14-15-39-33(41)25-7-3-4-8-26(25)34(39)42)23-10-12-27-28(17-23)37-29(20-35-27)22-19-36-40(21-22)32-9-5-6-16-45-32;1-33-18-19(16-31-33)26-17-30-24-5-4-20(14-25(24)32-26)35(11-10-34-8-6-27(28,29)7-9-34)21-12-22(36-2)15-23(13-21)37-3;1-17(2)26-10-11-31(24-13-20(32-4)7-9-25(24)33-5)19-6-8-21-22(12-19)29-23(15-27-21)18-14-28-30(3)16-18;;;/h3-4,7-8,10-13,17-21,32H,5-6,9,14-16H2,1-2H3;4-5,12-18H,6-11H2,1-3H3;6-9,12-17,26H,10-11H2,1-5H3;3*1H4
• InChIKey: USECBMQJRYNEDM-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 257.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1607.92
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane?

The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane (CID 161178826) is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane.

What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane?

The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane is C.C.C.COc1cc(OC)cc(N(CCN2CCC(F)(F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1ccc(OC)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane?

The InChIKey is USECBMQJRYNEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O5.C27H30F2N6O2.C25H30N6O2.3CH4/c1-43-24-11-13-31(44-2)30(18-24)38(14-15-39-33(41)25-7-3-4-8-26(25)34(39)42)23-10-12-27-28(17-23)37-29(20-35-27)22-19-36-40(21-22)32-9-5-6-16-45-32;1-33-18-19(16-31-33)26-17-30-24-5-4-20(14-25(24)32-26)35(11-10-34-8-6-27(28,29)7-9-34)21-12-22(36-2)15-23(13-21)37-3;1-17(2)26-10-11-31(24-13-20(32-4)7-9-25(24)33-5)19-6-8-21-22(12-19)29-23(15-27-21)18-14-28-30(3)16-18;;;/h3-4,7-8,10-13,17-21,32H,5-6,9,14-16H2,1-2H3;4-5,12-18H,6-11H2,1-3H3;6-9,12-17,26H,10-11H2,1-5H3;3*1H4.

What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane?

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane has a molecular weight of 1607.92 g/mol, XLogP of 16.65, 26 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;methane is sourced from PubChem (CID 161178826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).