5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C158H166B2BrClIN23O27S2 — CID 165059062

About 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 165059062) has the molecular formula C158H166B2BrClIN23O27S2 and a molecular weight of 3147.22 g/mol. Its IUPAC name is 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 165059062
• Molecular Formula: C158H166B2BrClIN23O27S2
• Molecular Weight: 3147.22 g/mol
• Exact Mass: 3143.99
• IUPAC Name: 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CCn1cc(-c2cc3c(C(=O)NC)cnc(NC(=O)C4CC4)c3[nH]2)ccc1=O.CCn1cc(-c2cc3c(C(=O)OC)cnc(N(Cc4ccccc4)Cc4ccccc4)c3n2S(=O)(=O)c2ccccc2)ccc1=O.CCn1cc(-c2cc3c(C(=O)OC)cnc(N)c3[nH]2)ccc1=O.CCn1cc(-c2cc3c(C(=O)OC)cnc(NC(=O)C4CC4)c3[nH]2)ccc1=O.CCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.CCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.CCn1cc(Br)ccc1=O.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.O=C(Cl)C1CC1
• InChI: InChI=1S/C36H32N4O5S.C29H24IN3O4S.C20H21N5O3.C20H20N4O4.C16H16N4O3.2C13H20BNO3.C7H8BrNO.C4H5ClO/c1-3-38-25-28(19-20-33(38)41)32-21-30-31(36(42)45-2)22-37-35(34(30)40(32)46(43,44)29-17-11-6-12-18-29)39(23-26-13-7-4-8-14-26)24-27-15-9-5-10-16-27;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-3-25-10-12(6-7-16(25)26)15-8-13-14(20(28)21-2)9-22-18(17(13)23-15)24-19(27)11-4-5-11;1-3-24-10-12(6-7-16(24)25)15-8-13-14(20(27)28-2)9-21-18(17(13)22-15)23-19(26)11-4-5-11;1-3-20-8-9(4-5-13(20)21)12-6-10-11(16(22)23-2)7-18-15(17)14(10)19-12;2*1-6-15-9-10(7-8-11(15)16)14-17-12(2,3)13(4,5)18-14;1-2-9-5-6(8)3-4-7(9)10;5-4(6)3-1-2-3/h4-22,25H,3,23-24H2,1-2H3;2-18H,19-20H2,1H3;6-11,23H,3-5H2,1-2H3,(H,21,28)(H,22,24,27);6-11,22H,3-5H2,1-2H3,(H,21,23,26);4-8,19H,3H2,1-2H3,(H2,17,18);2*7-9H,6H2,1-5H3;3-5H,2H2,1H3;3H,1-2H2
• InChIKey: QXDXLINXHWJQCR-UHFFFAOYSA-N
• XLogP: 23.56
• TPSA: 622.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 37
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3147.22
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 165059062) is 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CCn1cc(-c2cc3c(C(=O)NC)cnc(NC(=O)C4CC4)c3[nH]2)ccc1=O.CCn1cc(-c2cc3c(C(=O)OC)cnc(N(Cc4ccccc4)Cc4ccccc4)c3n2S(=O)(=O)c2ccccc2)ccc1=O.CCn1cc(-c2cc3c(C(=O)OC)cnc(N)c3[nH]2)ccc1=O.CCn1cc(-c2cc3c(C(=O)OC)cnc(NC(=O)C4CC4)c3[nH]2)ccc1=O.CCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.CCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.CCn1cc(Br)ccc1=O.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.O=C(Cl)C1CC1.

What is the InChIKey of 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is QXDXLINXHWJQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O5S.C29H24IN3O4S.C20H21N5O3.C20H20N4O4.C16H16N4O3.2C13H20BNO3.C7H8BrNO.C4H5ClO/c1-3-38-25-28(19-20-33(38)41)32-21-30-31(36(42)45-2)22-37-35(34(30)40(32)46(43,44)29-17-11-6-12-18-29)39(23-26-13-7-4-8-14-26)24-27-15-9-5-10-16-27;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-3-25-10-12(6-7-16(25)26)15-8-13-14(20(28)21-2)9-22-18(17(13)23-15)24-19(27)11-4-5-11;1-3-24-10-12(6-7-16(24)25)15-8-13-14(20(27)28-2)9-21-18(17(13)22-15)23-19(26)11-4-5-11;1-3-20-8-9(4-5-13(20)21)12-6-10-11(16(22)23-2)7-18-15(17)14(10)19-12;2*1-6-15-9-10(7-8-11(15)16)14-17-12(2,3)13(4,5)18-14;1-2-9-5-6(8)3-4-7(9)10;5-4(6)3-1-2-3/h4-22,25H,3,23-24H2,1-2H3;2-18H,19-20H2,1H3;6-11,23H,3-5H2,1-2H3,(H,21,28)(H,22,24,27);6-11,22H,3-5H2,1-2H3,(H,21,23,26);4-8,19H,3H2,1-2H3,(H2,17,18);2*7-9H,6H2,1-5H3;3-5H,2H2,1H3;3H,1-2H2.

What are the key properties of 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 3147.22 g/mol, XLogP of 23.56, 37 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-ethylpyridin-2-one;7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 165059062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).