2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

C173H166ClF3N36O11 — CID 160746001

IUPAC2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESCc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)NCC(C)C)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc5c4OC(F)(F)O5)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4Cl)cc3c2)c1C.Cc1cc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cnc1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)n1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(F)n1
InChIInChI=1S/C25H27N5O2.C23H24N4O.C22H22N4O.C21H16F2N4O3.2C21H21N5O.C20H17ClN4O.C20H18FN5O/c1-14(2)12-27-25(32)19-7-5-6-18(10-19)21-11-20-8-17(13-26-24(20)28-21)9-22(31)23-15(3)16(4)29-30-23;1-12-6-7-19(14(3)13(12)2)20-10-18-8-17(11-24-23(18)25-20)9-21(28)22-15(4)16(5)26-27-22;1-12-5-6-18(13(2)7-12)19-10-17-8-16(11-23-22(17)24-19)9-20(27)21-14(3)15(4)25-26-21;1-10-11(2)26-27-18(10)16(28)7-12-6-13-8-15(25-20(13)24-9-12)14-4-3-5-17-19(14)30-21(22,23)29-17;1-11-5-17(10-22-13(11)3)18-8-16-6-15(9-23-21(16)24-18)7-19(27)20-12(2)14(4)25-26-20;1-11-5-6-17(14(4)23-11)18-9-16-7-15(10-22-21(16)24-18)8-19(27)20-12(2)13(3)25-26-20;1-11-12(2)24-25-19(11)18(26)8-13-7-14-9-17(23-20(14)22-10-13)15-5-3-4-6-16(15)21;1-10-4-5-15(19(21)23-10)16-8-14-6-13(9-22-20(14)24-16)7-17(27)18-11(2)12(3)25-26-18/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,26,28)(H,27,32)(H,29,30);6-8,10-11H,9H2,1-5H3,(H,24,25)(H,26,27);5-8,10-11H,9H2,1-4H3,(H,23,24)(H,25,26);3-6,8-9H,7H2,1-2H3,(H,24,25)(H,26,27);5-6,8-10H,7H2,1-4H3,(H,23,24)(H,25,26);5-7,9-10H,8H2,1-4H3,(H,22,24)(H,25,26);3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25);4-6,8-9H,7H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyRWESPOKLZWLWES-UHFFFAOYSA-N
MW3017.92 g/mol
LogP34.73
Rot. Bonds35

About 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 160746001) has the molecular formula C173H166ClF3N36O11 and a molecular weight of 3017.92 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
PubChem CID160746001
Molecular FormulaC173H166ClF3N36O11
Molecular Weight3017.92 g/mol
Exact Mass3015.32
IUPAC Name2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESCc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)NCC(C)C)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc5c4OC(F)(F)O5)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4Cl)cc3c2)c1C.Cc1cc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cnc1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)n1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(F)n1
InChIInChI=1S/C25H27N5O2.C23H24N4O.C22H22N4O.C21H16F2N4O3.2C21H21N5O.C20H17ClN4O.C20H18FN5O/c1-14(2)12-27-25(32)19-7-5-6-18(10-19)21-11-20-8-17(13-26-24(20)28-21)9-22(31)23-15(3)16(4)29-30-23;1-12-6-7-19(14(3)13(12)2)20-10-18-8-17(11-24-23(18)25-20)9-21(28)22-15(4)16(5)26-27-22;1-12-5-6-18(13(2)7-12)19-10-17-8-16(11-23-22(17)24-19)9-20(27)21-14(3)15(4)25-26-21;1-10-11(2)26-27-18(10)16(28)7-12-6-13-8-15(25-20(13)24-9-12)14-4-3-5-17-19(14)30-21(22,23)29-17;1-11-5-17(10-22-13(11)3)18-8-16-6-15(9-23-21(16)24-18)7-19(27)20-12(2)14(4)25-26-20;1-11-5-6-17(14(4)23-11)18-9-16-7-15(10-22-21(16)24-18)8-19(27)20-12(2)13(3)25-26-20;1-11-12(2)24-25-19(11)18(26)8-13-7-14-9-17(23-20(14)22-10-13)15-5-3-4-6-16(15)21;1-10-4-5-15(19(21)23-10)16-8-14-6-13(9-22-20(14)24-16)7-17(27)18-11(2)12(3)25-26-18/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,26,28)(H,27,32)(H,29,30);6-8,10-11H,9H2,1-5H3,(H,24,25)(H,26,27);5-8,10-11H,9H2,1-4H3,(H,23,24)(H,25,26);3-6,8-9H,7H2,1-2H3,(H,24,25)(H,26,27);5-6,8-10H,7H2,1-4H3,(H,23,24)(H,25,26);5-7,9-10H,8H2,1-4H3,(H,22,24)(H,25,26);3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25);4-6,8-9H,7H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyRWESPOKLZWLWES-UHFFFAOYSA-N
XLogP34.73
TPSA681.67 Ų
H-Bond Donors17
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003017.92
LogP ≤ 534.73
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 160746001) is 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc(C(=O)NCC(C)C)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4cccc5c4OC(F)(F)O5)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4Cl)cc3c2)c1C.Cc1cc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)cnc1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)c1C.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(C)n1.Cc1ccc(-c2cc3cc(CC(=O)c4n[nH]c(C)c4C)cnc3[nH]2)c(F)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is RWESPOKLZWLWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2.C23H24N4O.C22H22N4O.C21H16F2N4O3.2C21H21N5O.C20H17ClN4O.C20H18FN5O/c1-14(2)12-27-25(32)19-7-5-6-18(10-19)21-11-20-8-17(13-26-24(20)28-21)9-22(31)23-15(3)16(4)29-30-23;1-12-6-7-19(14(3)13(12)2)20-10-18-8-17(11-24-23(18)25-20)9-21(28)22-15(4)16(5)26-27-22;1-12-5-6-18(13(2)7-12)19-10-17-8-16(11-23-22(17)24-19)9-20(27)21-14(3)15(4)25-26-21;1-10-11(2)26-27-18(10)16(28)7-12-6-13-8-15(25-20(13)24-9-12)14-4-3-5-17-19(14)30-21(22,23)29-17;1-11-5-17(10-22-13(11)3)18-8-16-6-15(9-23-21(16)24-18)7-19(27)20-12(2)14(4)25-26-20;1-11-5-6-17(14(4)23-11)18-9-16-7-15(10-22-21(16)24-18)8-19(27)20-12(2)13(3)25-26-20;1-11-12(2)24-25-19(11)18(26)8-13-7-14-9-17(23-20(14)22-10-13)15-5-3-4-6-16(15)21;1-10-4-5-15(19(21)23-10)16-8-14-6-13(9-22-20(14)24-16)7-17(27)18-11(2)12(3)25-26-18/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,26,28)(H,27,32)(H,29,30);6-8,10-11H,9H2,1-5H3,(H,24,25)(H,26,27);5-8,10-11H,9H2,1-4H3,(H,23,24)(H,25,26);3-6,8-9H,7H2,1-2H3,(H,24,25)(H,26,27);5-6,8-10H,7H2,1-4H3,(H,23,24)(H,25,26);5-7,9-10H,8H2,1-4H3,(H,22,24)(H,25,26);3-7,9-10H,8H2,1-2H3,(H,22,23)(H,24,25);4-6,8-9H,7H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 3017.92 g/mol, XLogP of 34.73, 35 rotatable bonds, 17 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(5,6-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluoro-6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-methylpropyl)benzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,3,4-trimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 160746001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).