(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine

C123H149F15N28O3 — CID 158022688

About (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine

(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 158022688) has the molecular formula C123H149F15N28O3 and a molecular weight of 2352.71 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

• Compound Name: (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine
• PubChem CID: 158022688
• Molecular Formula: C123H149F15N28O3
• Molecular Weight: 2352.71 g/mol
• Exact Mass: 2351.21
• IUPAC Name: (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine
• SMILES: CC(C)N1CCN(C)c2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C#N)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1C[C@@H](C)N(C)c2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1C[C@H](C)N(C)c2cc(-c3cnn(C)c3)c(C#N)cc21.CC(C)N1C[C@H](C)N(C)c2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CNC(=O)c1ccc(-c2cc3c(cc2C(F)(F)F)N(C(C)C)CCN3C)cn1
• InChI: InChI=1S/C20H23F3N4O.2C18H23F3N4.C18H23N5.C17H21F3N4.C16H18F3N3O.C16H18N4O/c1-12(2)27-8-7-26(4)17-9-14(15(10-18(17)27)20(21,22)23)13-5-6-16(25-11-13)19(28)24-3;2*1-11(2)25-9-12(3)24(5)16-6-14(13-8-22-23(4)10-13)15(7-17(16)25)18(19,20)21;1-12(2)23-10-13(3)22(5)17-7-16(14(8-19)6-18(17)23)15-9-20-21(4)11-15;1-11(2)24-6-5-22(3)15-7-13(12-9-21-23(4)10-12)14(8-16(15)24)17(18,19)20;1-10(2)22-4-5-23-15-6-12(11-8-20-21(3)9-11)13(7-14(15)22)16(17,18)19;1-11(2)20-4-5-21-16-7-14(12(8-17)6-15(16)20)13-9-18-19(3)10-13/h5-6,9-12H,7-8H2,1-4H3,(H,24,28);2*6-8,10-12H,9H2,1-5H3;6-7,9,11-13H,10H2,1-5H3;7-11H,5-6H2,1-4H3;6-10H,4-5H2,1-3H3;6-7,9-11H,4-5H2,1-3H3/t;2*12-;13-;;;/m.100.../s1
• InChIKey: FGFYPSHHNGCROP-HLVNEUEPSA-N
• XLogP: 25.17
• TPSA: 253.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2352.71
LogP ≤ 5	25.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine?

The IUPAC name of (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine (CID 158022688) is (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine.

What is the SMILES notation for (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine?

The canonical SMILES for (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine is CC(C)N1CCN(C)c2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C#N)cc21.CC(C)N1CCOc2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1C[C@@H](C)N(C)c2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CC(C)N1C[C@H](C)N(C)c2cc(-c3cnn(C)c3)c(C#N)cc21.CC(C)N1C[C@H](C)N(C)c2cc(-c3cnn(C)c3)c(C(F)(F)F)cc21.CNC(=O)c1ccc(-c2cc3c(cc2C(F)(F)F)N(C(C)C)CCN3C)cn1.

What is the InChIKey of (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine?

The InChIKey is FGFYPSHHNGCROP-HLVNEUEPSA-N. The full InChI is InChI=1S/C20H23F3N4O.2C18H23F3N4.C18H23N5.C17H21F3N4.C16H18F3N3O.C16H18N4O/c1-12(2)27-8-7-26(4)17-9-14(15(10-18(17)27)20(21,22)23)13-5-6-16(25-11-13)19(28)24-3;2*1-11(2)25-9-12(3)24(5)16-6-14(13-8-22-23(4)10-13)15(7-17(16)25)18(19,20)21;1-12(2)23-10-13(3)22(5)17-7-16(14(8-19)6-18(17)23)15-9-20-21(4)11-15;1-11(2)24-6-5-22(3)15-7-13(12-9-21-23(4)10-12)14(8-16(15)24)17(18,19)20;1-10(2)22-4-5-23-15-6-12(11-8-20-21(3)9-11)13(7-14(15)22)16(17,18)19;1-11(2)20-4-5-21-16-7-14(12(8-17)6-15(16)20)13-9-18-19(3)10-13/h5-6,9-12H,7-8H2,1-4H3,(H,24,28);2*6-8,10-12H,9H2,1-5H3;6-7,9,11-13H,10H2,1-5H3;7-11H,5-6H2,1-4H3;6-10H,4-5H2,1-3H3;6-7,9-11H,4-5H2,1-3H3/t;2*12-;13-;;;/m.100.../s1.

What are the key properties of (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine?

(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 2352.71 g/mol, XLogP of 25.17, 15 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 158022688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).