3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride

C102H129ClF9N21O10S3 — CID 159100372

About 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride

3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride (PubChem CID 159100372) has the molecular formula C102H129ClF9N21O10S3 and a molecular weight of 2111.93 g/mol. Its IUPAC name is 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride.

Molecular Properties

• Compound Name: 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
• PubChem CID: 159100372
• Molecular Formula: C102H129ClF9N21O10S3
• Molecular Weight: 2111.93 g/mol
• Exact Mass: 2109.89
• IUPAC Name: 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
• SMILES: CCc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C.CNc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C.COc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C.Cc1nc2c(nc1-c1ccc(C(C)C)[nH]c1=O)c(C)cn2C(C)C.Cc1nc2c(nc1-c1ccc(C(C)C)nc1OS(=O)(=O)C(F)(F)F)c(C)cn2C(C)C.Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C21H28N4.C20H23F3N4O3S.C20H27N5.C20H26N4O.C19H24N4O.C2F6O5S2.ClH/c1-8-17-16(9-10-18(23-17)12(2)3)20-15(7)22-21-19(24-20)14(6)11-25(21)13(4)5;1-10(2)15-8-7-14(19(25-15)30-31(28,29)20(21,22)23)17-13(6)24-18-16(26-17)12(5)9-27(18)11(3)4;1-11(2)16-9-8-15(19(21-7)23-16)18-14(6)22-20-17(24-18)13(5)10-25(20)12(3)4;1-11(2)16-9-8-15(20(22-16)25-7)18-14(6)21-19-17(23-18)13(5)10-24(19)12(3)4;1-10(2)15-8-7-14(19(24)21-15)17-13(6)20-18-16(22-17)12(5)9-23(18)11(3)4;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;/h9-13H,8H2,1-7H3;7-11H,1-6H3;8-12H,1-7H3,(H,21,23);8-12H,1-7H3;7-11H,1-6H3,(H,21,24);;1H
• InChIKey: BEHJCLAESPNKFL-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 380.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2111.93
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?

The IUPAC name of 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride (CID 159100372) is 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride.

What is the SMILES notation for 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?

The canonical SMILES for 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride is CCc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C.CNc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C.COc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C.Cc1nc2c(nc1-c1ccc(C(C)C)[nH]c1=O)c(C)cn2C(C)C.Cc1nc2c(nc1-c1ccc(C(C)C)nc1OS(=O)(=O)C(F)(F)F)c(C)cn2C(C)C.Cl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?

The InChIKey is BEHJCLAESPNKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4.C20H23F3N4O3S.C20H27N5.C20H26N4O.C19H24N4O.C2F6O5S2.ClH/c1-8-17-16(9-10-18(23-17)12(2)3)20-15(7)22-21-19(24-20)14(6)11-25(21)13(4)5;1-10(2)15-8-7-14(19(25-15)30-31(28,29)20(21,22)23)17-13(6)24-18-16(26-17)12(5)9-27(18)11(3)4;1-11(2)16-9-8-15(19(21-7)23-16)18-14(6)22-20-17(24-18)13(5)10-25(20)12(3)4;1-11(2)16-9-8-15(20(22-16)25-7)18-14(6)21-19-17(23-18)13(5)10-24(19)12(3)4;1-10(2)15-8-7-14(19(24)21-15)17-13(6)20-18-16(22-17)12(5)9-23(18)11(3)4;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;/h9-13H,8H2,1-7H3;7-11H,1-6H3;8-12H,1-7H3,(H,21,23);8-12H,1-7H3;7-11H,1-6H3,(H,21,24);;1H.

What are the key properties of 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride?

3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride has a molecular weight of 2111.93 g/mol, XLogP of 25.33, 22 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride is sourced from PubChem (CID 159100372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).