(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide

C100H106F5N23O10 — CID 158518822

About (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide

(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide (PubChem CID 158518822) has the molecular formula C100H106F5N23O10 and a molecular weight of 1885.09 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide.

Molecular Properties

• Compound Name: (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide
• PubChem CID: 158518822
• Molecular Formula: C100H106F5N23O10
• Molecular Weight: 1885.09 g/mol
• Exact Mass: 1883.84
• IUPAC Name: (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide
• SMILES: CCn1ccnc1CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CNC(=O)c1cc(F)cc(N(CC(C)(C)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@@H](O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C26H29F2N5O3.C26H27N7O2.C24H25F2N5O3.C24H25FN6O2/c1-16(2)33-14-17(12-30-33)24-13-29-22-7-6-18(10-23(22)31-24)32(15-25(34)26(3,27)28)19-8-20(35-4)11-21(9-19)36-5;1-5-32-9-8-27-26(32)17-33(20-10-21(34-3)13-22(11-20)35-4)19-6-7-23-24(12-19)30-25(15-28-23)18-14-29-31(2)16-18;1-24(25,26)23(32)14-31(17-7-18(33-3)10-19(8-17)34-4)16-5-6-20-21(9-16)29-22(12-27-20)15-11-28-30(2)13-15;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/h6-14,16,25,34H,15H2,1-5H3;6-16H,5,17H2,1-4H3;5-13,23,32H,14H2,1-4H3;5-13,33H,14H2,1-4H3,(H,26,32)/t;;23-;/m..1./s1
• InChIKey: HLYSKHMFONMQGN-JRRUULGYSA-N
• XLogP: 17.49
• TPSA: 350.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1885.09
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide?

The IUPAC name of (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide (CID 158518822) is (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide.

What is the SMILES notation for (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide?

The canonical SMILES for (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide is CCn1ccnc1CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CNC(=O)c1cc(F)cc(N(CC(C)(C)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@@H](O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide?

The InChIKey is HLYSKHMFONMQGN-JRRUULGYSA-N. The full InChI is InChI=1S/C26H29F2N5O3.C26H27N7O2.C24H25F2N5O3.C24H25FN6O2/c1-16(2)33-14-17(12-30-33)24-13-29-22-7-6-18(10-23(22)31-24)32(15-25(34)26(3,27)28)19-8-20(35-4)11-21(9-19)36-5;1-5-32-9-8-27-26(32)17-33(20-10-21(34-3)13-22(11-20)35-4)19-6-7-23-24(12-19)30-25(15-28-23)18-14-29-31(2)16-18;1-24(25,26)23(32)14-31(17-7-18(33-3)10-19(8-17)34-4)16-5-6-20-21(9-16)29-22(12-27-20)15-11-28-30(2)13-15;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/h6-14,16,25,34H,15H2,1-5H3;6-16H,5,17H2,1-4H3;5-13,23,32H,14H2,1-4H3;5-13,33H,14H2,1-4H3,(H,26,32)/t;;23-;/m..1./s1.

What are the key properties of (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide?

(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide has a molecular weight of 1885.09 g/mol, XLogP of 17.49, 31 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N-(3,5-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;3-fluoro-5-[(2-hydroxy-2-methylpropyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 158518822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).