N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide

C116H91N21O11 — CID 157427608

IUPACN,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide
SMILESC#CCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ncn[nH]4)c3c2)cc1.O=C(NC1CCC(O)CC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1cccnc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1n[nH]c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)n1
InChIInChI=1S/C30H27N3O4.C29H20N4O3.C27H19N3O3.C17H16N6.C13H9N5O/c34-22-12-10-21(11-13-22)33-30(35)28-15-20(18-36-28)26-17-32-29-25(26)14-19(16-31-29)24-8-4-5-9-27(24)37-23-6-2-1-3-7-23;34-29(33-21-7-6-12-30-16-21)27-14-20(18-35-27)25-17-32-28-24(25)13-19(15-31-28)23-10-4-5-11-26(23)36-22-8-2-1-3-9-22;1-2-12-28-27(31)25-14-19(17-32-25)23-16-30-26-22(23)13-18(15-29-26)21-10-6-7-11-24(21)33-20-8-4-3-5-9-20;1-23(2)13-5-3-11(4-6-13)12-7-14-15(17-20-10-21-22-17)9-19-16(14)18-8-12;1-2-19-6-8(1)11-5-15-13-10(11)3-9(4-14-13)12-16-7-17-18-12/h1-9,14-18,21-22,34H,10-13H2,(H,31,32)(H,33,35);1-18H,(H,31,32)(H,33,34);1,3-11,13-17H,12H2,(H,28,31)(H,29,30);3-10H,1-2H3,(H,18,19)(H,20,21,22);1-7H,(H,14,15)(H,16,17,18)
InChIKeyBQDKBJPIZNUUGW-UHFFFAOYSA-N
MW1955.14 g/mol
LogP24.58
Rot. Bonds23

About N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide

N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide (PubChem CID 157427608) has the molecular formula C116H91N21O11 and a molecular weight of 1955.14 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide
PubChem CID157427608
Molecular FormulaC116H91N21O11
Molecular Weight1955.14 g/mol
Exact Mass1953.72
IUPAC NameN,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide
SMILESC#CCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ncn[nH]4)c3c2)cc1.O=C(NC1CCC(O)CC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1cccnc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1n[nH]c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)n1
InChIInChI=1S/C30H27N3O4.C29H20N4O3.C27H19N3O3.C17H16N6.C13H9N5O/c34-22-12-10-21(11-13-22)33-30(35)28-15-20(18-36-28)26-17-32-29-25(26)14-19(16-31-29)24-8-4-5-9-27(24)37-23-6-2-1-3-7-23;34-29(33-21-7-6-12-30-16-21)27-14-20(18-35-27)25-17-32-28-24(25)13-19(15-31-28)23-10-4-5-11-26(23)36-22-8-2-1-3-9-22;1-2-12-28-27(31)25-14-19(17-32-25)23-16-30-26-22(23)13-18(15-29-26)21-10-6-7-11-24(21)33-20-8-4-3-5-9-20;1-23(2)13-5-3-11(4-6-13)12-7-14-15(17-20-10-21-22-17)9-19-16(14)18-8-12;1-2-19-6-8(1)11-5-15-13-10(11)3-9(4-14-13)12-16-7-17-18-12/h1-9,14-18,21-22,34H,10-13H2,(H,31,32)(H,33,35);1-18H,(H,31,32)(H,33,34);1,3-11,13-17H,12H2,(H,28,31)(H,29,30);3-10H,1-2H3,(H,18,19)(H,20,21,22);1-7H,(H,14,15)(H,16,17,18)
InChIKeyBQDKBJPIZNUUGW-UHFFFAOYSA-N
XLogP24.58
TPSA430.45 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001955.14
LogP ≤ 524.58
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide with MolForge

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Related Compounds

2-[3-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;N-(furan-2-ylmethyl)-N-methyl-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-(2-hydroxyethyl)-N-methyl-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-(4-methylcyclohexyl)-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-(3-piperidin-1-ylpropyl)benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;2-[3-(piperidine-1-carbonyl)phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 160444620
4-[2-(furan-2-yl)ethyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-methyl-4-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidine;2-methyl-4-[2-(5-methylfuran-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine;6-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-methyl-N-(pyrazin-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;2-methyl-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]furan-2-carbonitrile;[5-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]furan-2-yl]methanol;5-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]furan-2-carbonitrile;[5-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]furan-2-yl]methanol
CID 157064592
2-[7-Amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-3-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-phenylpropanoic acid;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-phenylpropanoate;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-3-phenylpropanoate;methyl 2-bromo-3-phenylpropanoate
CID 157143181
2-[7-Amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-(2-methoxyphenyl)acetic acid;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-(2-methoxyphenyl)acetate;methyl 2-bromo-2-(2-methoxyphenyl)acetate
CID 157162141
5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide
CID 157233000
1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
CID 157315087
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone;N-(oxolan-2-ylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 157328394
N-(cyclopropylmethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-methoxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylbenzamide
CID 157338888
N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 157362673
5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 157562051
2-(2-but-1-ynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;2-[2-[3-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylfuran-3-yl)-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-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylbenzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157581996
2-[7-Amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-3-phenylpropan-1-one;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-3-phenylpropanoic acid;1-[4-(2-methoxyethoxy)phenyl]piperazine;methyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-3-phenylpropanoate
CID 157821012

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide (CID 157427608) is N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide is C#CCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ncn[nH]4)c3c2)cc1.O=C(NC1CCC(O)CC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1cccnc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1n[nH]c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)n1.
What is the InChIKey of N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide?
The InChIKey is BQDKBJPIZNUUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4.C29H20N4O3.C27H19N3O3.C17H16N6.C13H9N5O/c34-22-12-10-21(11-13-22)33-30(35)28-15-20(18-36-28)26-17-32-29-25(26)14-19(16-31-29)24-8-4-5-9-27(24)37-23-6-2-1-3-7-23;34-29(33-21-7-6-12-30-16-21)27-14-20(18-35-27)25-17-32-28-24(25)13-19(15-31-28)23-10-4-5-11-26(23)36-22-8-2-1-3-9-22;1-2-12-28-27(31)25-14-19(17-32-25)23-16-30-26-22(23)13-18(15-29-26)21-10-6-7-11-24(21)33-20-8-4-3-5-9-20;1-23(2)13-5-3-11(4-6-13)12-7-14-15(17-20-10-21-22-17)9-19-16(14)18-8-12;1-2-19-6-8(1)11-5-15-13-10(11)3-9(4-14-13)12-16-7-17-18-12/h1-9,14-18,21-22,34H,10-13H2,(H,31,32)(H,33,35);1-18H,(H,31,32)(H,33,34);1,3-11,13-17H,12H2,(H,28,31)(H,29,30);3-10H,1-2H3,(H,18,19)(H,20,21,22);1-7H,(H,14,15)(H,16,17,18).
What are the key properties of N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide?
N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide has a molecular weight of 1955.14 g/mol, XLogP of 24.58, 23 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine;N-(4-hydroxycyclohexyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-prop-2-ynylfuran-2-carboxamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylfuran-2-carboxamide is sourced from PubChem (CID 157427608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).