1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione

C126H116N40O15 — CID 161067517

IUPAC1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione
SMILESCOc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)N3CCN4C(c5ccccc5)=CCC4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN4C(c5ccccc5)=NCC4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cnn4-c4ccccc4)C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nc(C)c4-c4ccccc4)C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nc(C)c4-c4ccccn4)C3)c12
InChIInChI=1S/C26H24N8O3.C25H23N9O3.C25H22N8O3.C25H24N8O3.C25H23N7O3/c1-15-23(17-7-5-4-6-8-17)33-10-9-32(13-20(33)30-15)26(36)24(35)18-11-27-22-21(18)19(37-3)12-28-25(22)34-14-29-16(2)31-34;1-14-22(17-6-4-5-7-26-17)33-9-8-32(12-19(33)30-14)25(36)23(35)16-10-27-21-20(16)18(37-3)11-28-24(21)34-13-29-15(2)31-34;1-15-28-14-32(30-15)24-22-21(20(36-2)12-27-24)18(11-26-22)23(34)25(35)31-9-8-19-16(13-31)10-29-33(19)17-6-4-3-5-7-17;1-15-29-14-33(30-15)24-21-20(19(36-2)12-28-24)18(11-26-21)22(34)25(35)31-8-9-32-17(13-31)10-27-23(32)16-6-4-3-5-7-16;1-35-20-14-27-24(32-10-9-28-29-32)22-21(20)18(13-26-22)23(33)25(34)30-11-12-31-17(15-30)7-8-19(31)16-5-3-2-4-6-16/h4-8,11-12,14,27H,9-10,13H2,1-3H3;4-7,10-11,13,27H,8-9,12H2,1-3H3;3-7,10-12,14,26H,8-9,13H2,1-2H3;3-7,11-12,14,17,26H,8-10,13H2,1-2H3;2-6,8-10,13-14,17,26H,7,11-12,15H2,1H3
InChIKeyUEFKRRWIKHATBS-UHFFFAOYSA-N
MW2430.58 g/mol
LogP11.43
Rot. Bonds25

About 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-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-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione (PubChem CID 161067517) has the molecular formula C126H116N40O15 and a molecular weight of 2430.58 g/mol. Its IUPAC name is 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione
PubChem CID161067517
Molecular FormulaC126H116N40O15
Molecular Weight2430.58 g/mol
Exact Mass2428.95
IUPAC Name1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione
SMILESCOc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)N3CCN4C(c5ccccc5)=CCC4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN4C(c5ccccc5)=NCC4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cnn4-c4ccccc4)C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nc(C)c4-c4ccccc4)C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nc(C)c4-c4ccccn4)C3)c12
InChIInChI=1S/C26H24N8O3.C25H23N9O3.C25H22N8O3.C25H24N8O3.C25H23N7O3/c1-15-23(17-7-5-4-6-8-17)33-10-9-32(13-20(33)30-15)26(36)24(35)18-11-27-22-21(18)19(37-3)12-28-25(22)34-14-29-16(2)31-34;1-14-22(17-6-4-5-7-26-17)33-9-8-32(12-19(33)30-14)25(36)23(35)16-10-27-21-20(16)18(37-3)11-28-24(21)34-13-29-15(2)31-34;1-15-28-14-32(30-15)24-22-21(20(36-2)12-27-24)18(11-26-22)23(34)25(35)31-9-8-19-16(13-31)10-29-33(19)17-6-4-3-5-7-17;1-15-29-14-33(30-15)24-21-20(19(36-2)12-28-24)18(11-26-21)22(34)25(35)31-8-9-32-17(13-31)10-27-23(32)16-6-4-3-5-7-16;1-35-20-14-27-24(32-10-9-28-29-32)22-21(20)18(13-26-22)23(33)25(34)30-11-12-31-17(15-30)7-8-19(31)16-5-3-2-4-6-16/h4-8,11-12,14,27H,9-10,13H2,1-3H3;4-7,10-11,13,27H,8-9,12H2,1-3H3;3-7,10-12,14,26H,8-9,13H2,1-2H3;3-7,11-12,14,17,26H,8-10,13H2,1-2H3;2-6,8-10,13-14,17,26H,7,11-12,15H2,1H3
InChIKeyUEFKRRWIKHATBS-UHFFFAOYSA-N
XLogP11.43
TPSA615.19 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds25
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002430.58
LogP ≤ 511.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione (CID 161067517) is 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione is COc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)N3CCN4C(c5ccccc5)=CCC4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN4C(c5ccccc5)=NCC4C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cnn4-c4ccccc4)C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nc(C)c4-c4ccccc4)C3)c12.COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(nc(C)c4-c4ccccn4)C3)c12.
What is the InChIKey of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione?
The InChIKey is UEFKRRWIKHATBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3.C25H23N9O3.C25H22N8O3.C25H24N8O3.C25H23N7O3/c1-15-23(17-7-5-4-6-8-17)33-10-9-32(13-20(33)30-15)26(36)24(35)18-11-27-22-21(18)19(37-3)12-28-25(22)34-14-29-16(2)31-34;1-14-22(17-6-4-5-7-26-17)33-9-8-32(12-19(33)30-14)25(36)23(35)16-10-27-21-20(16)18(37-3)11-28-24(21)34-13-29-15(2)31-34;1-15-28-14-32(30-15)24-22-21(20(36-2)12-27-24)18(11-26-22)23(34)25(35)31-9-8-19-16(13-31)10-29-33(19)17-6-4-3-5-7-17;1-15-29-14-33(30-15)24-21-20(19(36-2)12-28-24)18(11-26-21)22(34)25(35)31-8-9-32-17(13-31)10-27-23(32)16-6-4-3-5-7-16;1-35-20-14-27-24(32-10-9-28-29-32)22-21(20)18(13-26-22)23(33)25(34)30-11-12-31-17(15-30)7-8-19(31)16-5-3-2-4-6-16/h4-8,11-12,14,27H,9-10,13H2,1-3H3;4-7,10-11,13,27H,8-9,12H2,1-3H3;3-7,10-12,14,26H,8-9,13H2,1-2H3;3-7,11-12,14,17,26H,8-10,13H2,1-2H3;2-6,8-10,13-14,17,26H,7,11-12,15H2,1H3.
What are the key properties of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-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-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione has a molecular weight of 2430.58 g/mol, XLogP of 11.43, 25 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(2-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(2-methyl-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-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-(3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-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-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethane-1,2-dione;1-[4-methoxy-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(6-phenyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethane-1,2-dione is sourced from PubChem (CID 161067517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).