(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane

C76H87F4N17O8 — CID 159521499

About (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane

(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane (PubChem CID 159521499) has the molecular formula C76H87F4N17O8 and a molecular weight of 1442.63 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane.

Molecular Properties

• Compound Name: (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane
• PubChem CID: 159521499
• Molecular Formula: C76H87F4N17O8
• Molecular Weight: 1442.63 g/mol
• Exact Mass: 1441.69
• IUPAC Name: (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane
• SMILES: C.C.CNC(=O)c1cc(F)cc(N(CC(C)(C)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@@H](O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C27H32N6O3.C24H25FN6O2.C23H22F3N5O3.2CH4/c1-34-22-12-21(13-23(15-22)35-2)32(10-5-9-28)20-7-8-24-25(14-20)31-26(17-29-24)19-16-30-33(18-19)27-6-3-4-11-36-27;1-24(2,33)14-31(19-8-15(23(32)26-3)7-17(25)9-19)18-5-6-20-21(10-18)29-22(12-27-20)16-11-28-30(4)13-16;1-30-12-14(10-28-30)21-11-27-19-5-4-15(8-20(19)29-21)31(13-22(32)23(24,25)26)16-6-17(33-2)9-18(7-16)34-3;;/h7-8,12-18,27H,3-6,9-11,28H2,1-2H3;5-13,33H,14H2,1-4H3,(H,26,32);4-12,22,32H,13H2,1-3H3;2*1H4/t;;22-;;/m..1../s1
• InChIKey: MBVZDLAOMONSAC-VSNDMWHNSA-N
• XLogP: 13.52
• TPSA: 282.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.63
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane?

The IUPAC name of (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane (CID 159521499) is (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane.

What is the SMILES notation for (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane?

The canonical SMILES for (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane is C.C.CNC(=O)c1cc(F)cc(N(CC(C)(C)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@@H](O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane?

The InChIKey is MBVZDLAOMONSAC-VSNDMWHNSA-N. The full InChI is InChI=1S/C27H32N6O3.C24H25FN6O2.C23H22F3N5O3.2CH4/c1-34-22-12-21(13-23(15-22)35-2)32(10-5-9-28)20-7-8-24-25(14-20)31-26(17-29-24)19-16-30-33(18-19)27-6-3-4-11-36-27;1-24(2,33)14-31(19-8-15(23(32)26-3)7-17(25)9-19)18-5-6-20-21(10-18)29-22(12-27-20)16-11-28-30(4)13-16;1-30-12-14(10-28-30)21-11-27-19-5-4-15(8-20(19)29-21)31(13-22(32)23(24,25)26)16-6-17(33-2)9-18(7-16)34-3;;/h7-8,12-18,27H,3-6,9-11,28H2,1-2H3;5-13,33H,14H2,1-4H3,(H,26,32);4-12,22,32H,13H2,1-3H3;2*1H4/t;;22-;;/m..1../s1.

What are the key properties of (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane?

(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane has a molecular weight of 1442.63 g/mol, XLogP of 13.52, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]propane-1,3-diamine;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide;methane is sourced from PubChem (CID 159521499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).