1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione

C194H181F3N74O26S2 — CID 159390266

IUPAC1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
SMILESCCOc1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3c(-n4ccnn4)ncc(F)c23)CC1.CCOc1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3c(-n4cnc(C)n4)ncc(OC)c23)CC1.COc1cnc(-c2ncc(OC)c3c(C(=O)C(=O)N4CCN(c5nnnn5-c5ccccc5)CC4)c[nH]c23)c2[nH]ccc12.COc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccn4)CC3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4ncccc4C(O)c4nccs4)CC3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccc4)[C@@H](C)C3)c12.C[C@H]1CN(C(=O)C(=O)c2c[nH]c3c(-n4ccnn4)ncc(F)c23)CCN1c1nnnn1-c1ccccc1.O=C(c1nccs1)c1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CC1
InChIInChI=1S/C29H26N10O4.C26H25N9O4S.C25H25N11O3.C24H26N8O4.C23H20FN11O2.C23H18FN5O3S.C22H21FN8O3.C22H20N12O3/c1-42-20-15-32-25(23-18(20)8-9-30-23)26-24-22(21(43-2)16-33-26)19(14-31-24)27(40)28(41)37-10-12-38(13-11-37)29-34-35-36-39(29)17-6-4-3-5-7-17;1-15-31-14-35(32-15)24-20-19(18(39-2)13-30-24)17(12-29-20)22(37)26(38)34-9-7-33(8-10-34)23-16(4-3-5-27-23)21(36)25-28-6-11-40-25;1-15-13-33(9-10-34(15)25-29-31-32-36(25)17-7-5-4-6-8-17)24(38)22(37)18-11-26-21-20(18)19(39-3)12-27-23(21)35-14-28-16(2)30-35;1-4-36-17-6-5-7-25-22(17)30-8-10-31(11-9-30)24(34)21(33)16-12-26-20-19(16)18(35-3)13-27-23(20)32-14-28-15(2)29-32;1-14-13-32(9-10-33(14)23-28-29-31-35(23)15-5-3-2-4-6-15)22(37)20(36)16-11-25-19-18(16)17(24)12-26-21(19)34-8-7-27-30-34;24-16-4-1-5-17-18(16)15(13-27-17)20(31)23(32)29-10-8-28(9-11-29)21-14(3-2-6-25-21)19(30)22-26-7-12-33-22;1-2-34-16-4-3-5-24-20(16)29-8-10-30(11-9-29)22(33)19(32)14-12-25-18-17(14)15(23)13-26-21(18)31-7-6-27-28-31;1-37-15-13-25-20(33-7-6-26-29-33)18-17(15)14(12-24-18)19(35)21(36)31-8-10-32(11-9-31)22-27-28-30-34(22)16-4-2-3-5-23-16/h3-9,14-16,30-31H,10-13H2,1-2H3;3-6,11-14,21,29,36H,7-10H2,1-2H3;4-8,11-12,14-15,26H,9-10,13H2,1-3H3;5-7,12-14,26H,4,8-11H2,1-3H3;2-8,11-12,14,25H,9-10,13H2,1H3;1-7,12-13,27H,8-11H2;3-7,12-13,25H,2,8-11H2,1H3;2-7,12-13,24H,8-11H2,1H3/t;;15-;;14-;;;/m..0.0.../s1
InChIKeyLMADXVAIABGOJR-SNSBZAHESA-N
MW4086.20 g/mol
LogP13.46
Rot. Bonds49

About 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione

1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 159390266) has the molecular formula C194H181F3N74O26S2 and a molecular weight of 4086.20 g/mol. Its IUPAC name is 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
PubChem CID159390266
Molecular FormulaC194H181F3N74O26S2
Molecular Weight4086.20 g/mol
Exact Mass4083.45
IUPAC Name1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
SMILESCCOc1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3c(-n4ccnn4)ncc(F)c23)CC1.CCOc1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3c(-n4cnc(C)n4)ncc(OC)c23)CC1.COc1cnc(-c2ncc(OC)c3c(C(=O)C(=O)N4CCN(c5nnnn5-c5ccccc5)CC4)c[nH]c23)c2[nH]ccc12.COc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccn4)CC3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4ncccc4C(O)c4nccs4)CC3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccc4)[C@@H](C)C3)c12.C[C@H]1CN(C(=O)C(=O)c2c[nH]c3c(-n4ccnn4)ncc(F)c23)CCN1c1nnnn1-c1ccccc1.O=C(c1nccs1)c1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CC1
InChIInChI=1S/C29H26N10O4.C26H25N9O4S.C25H25N11O3.C24H26N8O4.C23H20FN11O2.C23H18FN5O3S.C22H21FN8O3.C22H20N12O3/c1-42-20-15-32-25(23-18(20)8-9-30-23)26-24-22(21(43-2)16-33-26)19(14-31-24)27(40)28(41)37-10-12-38(13-11-37)29-34-35-36-39(29)17-6-4-3-5-7-17;1-15-31-14-35(32-15)24-20-19(18(39-2)13-30-24)17(12-29-20)22(37)26(38)34-9-7-33(8-10-34)23-16(4-3-5-27-23)21(36)25-28-6-11-40-25;1-15-13-33(9-10-34(15)25-29-31-32-36(25)17-7-5-4-6-8-17)24(38)22(37)18-11-26-21-20(18)19(39-3)12-27-23(21)35-14-28-16(2)30-35;1-4-36-17-6-5-7-25-22(17)30-8-10-31(11-9-30)24(34)21(33)16-12-26-20-19(16)18(35-3)13-27-23(20)32-14-28-15(2)29-32;1-14-13-32(9-10-33(14)23-28-29-31-35(23)15-5-3-2-4-6-15)22(37)20(36)16-11-25-19-18(16)17(24)12-26-21(19)34-8-7-27-30-34;24-16-4-1-5-17-18(16)15(13-27-17)20(31)23(32)29-10-8-28(9-11-29)21-14(3-2-6-25-21)19(30)22-26-7-12-33-22;1-2-34-16-4-3-5-24-20(16)29-8-10-30(11-9-29)22(33)19(32)14-12-25-18-17(14)15(23)13-26-21(18)31-7-6-27-28-31;1-37-15-13-25-20(33-7-6-26-29-33)18-17(15)14(12-24-18)19(35)21(36)31-8-10-32(11-9-31)22-27-28-30-34(22)16-4-2-3-5-23-16/h3-9,14-16,30-31H,10-13H2,1-2H3;3-6,11-14,21,29,36H,7-10H2,1-2H3;4-8,11-12,14-15,26H,9-10,13H2,1-3H3;5-7,12-14,26H,4,8-11H2,1-3H3;2-8,11-12,14,25H,9-10,13H2,1H3;1-7,12-13,27H,8-11H2;3-7,12-13,25H,2,8-11H2,1H3;2-7,12-13,24H,8-11H2,1H3/t;;15-;;14-;;;/m..0.0.../s1
InChIKeyLMADXVAIABGOJR-SNSBZAHESA-N
XLogP13.46
TPSA1130.22 Ų
H-Bond Donors10
H-Bond Acceptors85
Rotatable Bonds49
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004086.20
LogP ≤ 513.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1085

Analyze 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione (CID 159390266) is 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione is CCOc1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3c(-n4ccnn4)ncc(F)c23)CC1.CCOc1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3c(-n4cnc(C)n4)ncc(OC)c23)CC1.COc1cnc(-c2ncc(OC)c3c(C(=O)C(=O)N4CCN(c5nnnn5-c5ccccc5)CC4)c[nH]c23)c2[nH]ccc12.COc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccn4)CC3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4ncccc4C(O)c4nccs4)CC3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccc4)[C@@H](C)C3)c12.C[C@H]1CN(C(=O)C(=O)c2c[nH]c3c(-n4ccnn4)ncc(F)c23)CCN1c1nnnn1-c1ccccc1.O=C(c1nccs1)c1cccnc1N1CCN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CC1.
What is the InChIKey of 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is LMADXVAIABGOJR-SNSBZAHESA-N. The full InChI is InChI=1S/C29H26N10O4.C26H25N9O4S.C25H25N11O3.C24H26N8O4.C23H20FN11O2.C23H18FN5O3S.C22H21FN8O3.C22H20N12O3/c1-42-20-15-32-25(23-18(20)8-9-30-23)26-24-22(21(43-2)16-33-26)19(14-31-24)27(40)28(41)37-10-12-38(13-11-37)29-34-35-36-39(29)17-6-4-3-5-7-17;1-15-31-14-35(32-15)24-20-19(18(39-2)13-30-24)17(12-29-20)22(37)26(38)34-9-7-33(8-10-34)23-16(4-3-5-27-23)21(36)25-28-6-11-40-25;1-15-13-33(9-10-34(15)25-29-31-32-36(25)17-7-5-4-6-8-17)24(38)22(37)18-11-26-21-20(18)19(39-3)12-27-23(21)35-14-28-16(2)30-35;1-4-36-17-6-5-7-25-22(17)30-8-10-31(11-9-30)24(34)21(33)16-12-26-20-19(16)18(35-3)13-27-23(20)32-14-28-15(2)29-32;1-14-13-32(9-10-33(14)23-28-29-31-35(23)15-5-3-2-4-6-15)22(37)20(36)16-11-25-19-18(16)17(24)12-26-21(19)34-8-7-27-30-34;24-16-4-1-5-17-18(16)15(13-27-17)20(31)23(32)29-10-8-28(9-11-29)21-14(3-2-6-25-21)19(30)22-26-7-12-33-22;1-2-34-16-4-3-5-24-20(16)29-8-10-30(11-9-29)22(33)19(32)14-12-25-18-17(14)15(23)13-26-21(18)31-7-6-27-28-31;1-37-15-13-25-20(33-7-6-26-29-33)18-17(15)14(12-24-18)19(35)21(36)31-8-10-32(11-9-31)22-27-28-30-34(22)16-4-2-3-5-23-16/h3-9,14-16,30-31H,10-13H2,1-2H3;3-6,11-14,21,29,36H,7-10H2,1-2H3;4-8,11-12,14-15,26H,9-10,13H2,1-3H3;5-7,12-14,26H,4,8-11H2,1-3H3;2-8,11-12,14,25H,9-10,13H2,1H3;1-7,12-13,27H,8-11H2;3-7,12-13,25H,2,8-11H2,1H3;2-7,12-13,24H,8-11H2,1H3/t;;15-;;14-;;;/m..0.0.../s1.
What are the key properties of 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione?
1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 4086.20 g/mol, XLogP of 13.46, 49 rotatable bonds, 10 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3S)-3-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 159390266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).