N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline

C113H104FN21O12S5 — CID 161169996

IUPACN,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(N(C)C)nc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc5ncccc5c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccc5cnccc45)c3n2)cc1.COc1cc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c(F)cn1.COc1ncc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1C
InChIInChI=1S/2C24H20N4O2S.C22H23N5O2S.C22H22N4O3S.C21H19FN4O3S/c1-15(2)31(29,30)19-8-5-16(6-9-19)22-14-27-24-23(28-22)20(13-26-24)17-7-10-21-18(12-17)4-3-11-25-21;1-15(2)31(29,30)18-8-6-16(7-9-18)22-14-27-24-23(28-22)21(13-26-24)20-5-3-4-17-12-25-11-10-19(17)20;1-14(2)30(28,29)17-8-5-15(6-9-17)19-13-25-22-21(26-19)18(12-24-22)16-7-10-20(23-11-16)27(3)4;1-13(2)30(27,28)17-7-5-15(6-8-17)19-12-24-21-20(26-19)18(11-23-21)16-9-14(3)22(29-4)25-10-16;1-12(2)30(27,28)14-6-4-13(5-7-14)18-11-25-21-20(26-18)16(9-24-21)15-8-19(29-3)23-10-17(15)22/h2*3-15H,1-2H3,(H,26,27);5-14H,1-4H3,(H,24,25);5-13H,1-4H3,(H,23,24);4-12H,1-3H3,(H,24,25)
InChIKeyURBBAETZUIQKLD-UHFFFAOYSA-N
MW2127.54 g/mol
LogP22.18
Rot. Bonds23

About N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline

N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline (PubChem CID 161169996) has the molecular formula C113H104FN21O12S5 and a molecular weight of 2127.54 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline
PubChem CID161169996
Molecular FormulaC113H104FN21O12S5
Molecular Weight2127.54 g/mol
Exact Mass2125.68
IUPAC NameN,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(N(C)C)nc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc5ncccc5c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccc5cnccc45)c3n2)cc1.COc1cc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c(F)cn1.COc1ncc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1C
InChIInChI=1S/2C24H20N4O2S.C22H23N5O2S.C22H22N4O3S.C21H19FN4O3S/c1-15(2)31(29,30)19-8-5-16(6-9-19)22-14-27-24-23(28-22)20(13-26-24)17-7-10-21-18(12-17)4-3-11-25-21;1-15(2)31(29,30)18-8-6-16(7-9-18)22-14-27-24-23(28-22)21(13-26-24)20-5-3-4-17-12-25-11-10-19(17)20;1-14(2)30(28,29)17-8-5-15(6-9-17)19-13-25-22-21(26-19)18(12-24-22)16-7-10-20(23-11-16)27(3)4;1-13(2)30(27,28)17-7-5-15(6-8-17)19-12-24-21-20(26-19)18(11-23-21)16-9-14(3)22(29-4)25-10-16;1-12(2)30(27,28)14-6-4-13(5-7-14)18-11-25-21-20(26-18)16(9-24-21)15-8-19(29-3)23-10-17(15)22/h2*3-15H,1-2H3,(H,26,27);5-14H,1-4H3,(H,24,25);5-13H,1-4H3,(H,23,24);4-12H,1-3H3,(H,24,25)
InChIKeyURBBAETZUIQKLD-UHFFFAOYSA-N
XLogP22.18
TPSA464.70 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002127.54
LogP ≤ 522.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline?
The IUPAC name of N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline (CID 161169996) is N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline.
What is the SMILES notation for N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline?
The canonical SMILES for N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(N(C)C)nc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc5ncccc5c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccc5cnccc45)c3n2)cc1.COc1cc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c(F)cn1.COc1ncc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1C.
What is the InChIKey of N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline?
The InChIKey is URBBAETZUIQKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20N4O2S.C22H23N5O2S.C22H22N4O3S.C21H19FN4O3S/c1-15(2)31(29,30)19-8-5-16(6-9-19)22-14-27-24-23(28-22)20(13-26-24)17-7-10-21-18(12-17)4-3-11-25-21;1-15(2)31(29,30)18-8-6-16(7-9-18)22-14-27-24-23(28-22)21(13-26-24)20-5-3-4-17-12-25-11-10-19(17)20;1-14(2)30(28,29)17-8-5-15(6-9-17)19-13-25-22-21(26-19)18(12-24-22)16-7-10-20(23-11-16)27(3)4;1-13(2)30(27,28)17-7-5-15(6-8-17)19-12-24-21-20(26-19)18(11-23-21)16-9-14(3)22(29-4)25-10-16;1-12(2)30(27,28)14-6-4-13(5-7-14)18-11-25-21-20(26-18)16(9-24-21)15-8-19(29-3)23-10-17(15)22/h2*3-15H,1-2H3,(H,26,27);5-14H,1-4H3,(H,24,25);5-13H,1-4H3,(H,23,24);4-12H,1-3H3,(H,24,25).
What are the key properties of N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline?
N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline has a molecular weight of 2127.54 g/mol, XLogP of 22.18, 23 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline;6-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]quinoline is sourced from PubChem (CID 161169996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).