5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide

C88H92BrN37O10S4 — CID 159737101

About 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide

5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide (PubChem CID 159737101) has the molecular formula C88H92BrN37O10S4 and a molecular weight of 2036.12 g/mol. Its IUPAC name is 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide.

Molecular Properties

• Compound Name: 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide
• PubChem CID: 159737101
• Molecular Formula: C88H92BrN37O10S4
• Molecular Weight: 2036.12 g/mol
• Exact Mass: 2033.59
• IUPAC Name: 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide
• SMILES: Cc1cc2ccn(C(=O)c3nc(Nc4s[nH]c(=O)c4/C(N)=N/CCC4CCC(=O)N4)cnc3C)c2cn1.Cc1ncc(Nc2s[nH]c(=O)c2/C(N)=N/C(C)CO)nc1C(=O)N1CCc2c(Br)cncc21.N/C(=N\CCC1CCCN1)c1c(Nc2cncc(C(=O)N3CCc4ccncc43)n2)s[nH]c1=O.N/C(=N\CCc1ncc[nH]1)c1c(Nc2cccc(C(=O)n3ccc4c(N)cc(N)nc43)n2)s[nH]c1=O
• InChI: InChI=1S/C24H25N9O3S.C22H21N11O2S.C22H25N9O2S.C20H21BrN8O3S/c1-12-9-14-6-8-33(16(14)10-27-12)24(36)20-13(2)28-11-17(30-20)31-23-19(22(35)32-37-23)21(25)26-7-5-15-3-4-18(34)29-15;23-12-10-14(24)30-19-11(12)5-9-33(19)22(35)13-2-1-3-16(29-13)31-21-17(20(34)32-36-21)18(25)28-6-4-15-26-7-8-27-15;23-19(27-8-4-14-2-1-6-26-14)18-20(32)30-34-21(18)29-17-12-25-10-15(28-17)22(33)31-9-5-13-3-7-24-11-16(13)31;1-9(8-30)25-17(22)15-18(31)28-33-19(15)27-14-7-24-10(2)16(26-14)20(32)29-4-3-11-12(21)5-23-6-13(11)29/h6,8-11,15H,3-5,7H2,1-2H3,(H2,25,26)(H,29,34)(H,30,31)(H,32,35);1-3,5,7-10H,4,6H2,(H2,25,28)(H,26,27)(H,29,31)(H,32,34)(H4,23,24,30);3,7,10-12,14,26H,1-2,4-6,8-9H2,(H2,23,27)(H,28,29)(H,30,32);5-7,9,30H,3-4,8H2,1-2H3,(H2,22,25)(H,26,27)(H,28,31)
• InChIKey: NBZACBOACGYXQI-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 701.57 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2036.12
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide?

The IUPAC name of 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide (CID 159737101) is 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide.

What is the SMILES notation for 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide?

The canonical SMILES for 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide is Cc1cc2ccn(C(=O)c3nc(Nc4s[nH]c(=O)c4/C(N)=N/CCC4CCC(=O)N4)cnc3C)c2cn1.Cc1ncc(Nc2s[nH]c(=O)c2/C(N)=N/C(C)CO)nc1C(=O)N1CCc2c(Br)cncc21.N/C(=N\CCC1CCCN1)c1c(Nc2cncc(C(=O)N3CCc4ccncc43)n2)s[nH]c1=O.N/C(=N\CCc1ncc[nH]1)c1c(Nc2cccc(C(=O)n3ccc4c(N)cc(N)nc43)n2)s[nH]c1=O.

What is the InChIKey of 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide?

The InChIKey is NBZACBOACGYXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O3S.C22H21N11O2S.C22H25N9O2S.C20H21BrN8O3S/c1-12-9-14-6-8-33(16(14)10-27-12)24(36)20-13(2)28-11-17(30-20)31-23-19(22(35)32-37-23)21(25)26-7-5-15-3-4-18(34)29-15;23-12-10-14(24)30-19-11(12)5-9-33(19)22(35)13-2-1-3-16(29-13)31-21-17(20(34)32-36-21)18(25)28-6-4-15-26-7-8-27-15;23-19(27-8-4-14-2-1-6-26-14)18-20(32)30-34-21(18)29-17-12-25-10-15(28-17)22(33)31-9-5-13-3-7-24-11-16(13)31;1-9(8-30)25-17(22)15-18(31)28-33-19(15)27-14-7-24-10(2)16(26-14)20(32)29-4-3-11-12(21)5-23-6-13(11)29/h6,8-11,15H,3-5,7H2,1-2H3,(H2,25,26)(H,29,34)(H,30,31)(H,32,35);1-3,5,7-10H,4,6H2,(H2,25,28)(H,26,27)(H,29,31)(H,32,34)(H4,23,24,30);3,7,10-12,14,26H,1-2,4-6,8-9H2,(H2,23,27)(H,28,29)(H,30,32);5-7,9,30H,3-4,8H2,1-2H3,(H2,22,25)(H,26,27)(H,28,31).

What are the key properties of 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide?

5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide has a molecular weight of 2036.12 g/mol, XLogP of 6.59, 27 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-(4-bromo-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-5-methylpyrazin-2-yl]amino]-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(4,6-diaminopyrrolo[2,3-b]pyridine-1-carbonyl)-2-pyridinyl]amino]-N'-[2-(1H-imidazol-2-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-1,2-thiazole-4-carboximidamide;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 159737101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).