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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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

C188H145N31O19 — CID 159743972

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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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.COCCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NC1CCC(O)CC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1ccccc1)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1cccnc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1cnc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccoc4)c3c2)nc1.c1n[nH]c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)n1
InChIInChI=1S/C30H27N3O4.C29H20N4O3.C27H23N3O4.C27H19N3O3.C24H17N3O2.C21H14N4O2.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;1-32-12-11-28-27(31)25-14-19(17-33-25)23-16-30-26-22(23)13-18(15-29-26)21-9-5-6-10-24(21)34-20-7-3-2-4-8-20;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;28-24(27-18-6-2-1-3-7-18)20-9-5-4-8-19(20)17-12-21-22(16-10-11-29-15-16)14-26-23(21)25-13-17;1-2-5-19(27-21-22-7-3-8-23-21)16(4-1)15-10-17-18(14-6-9-26-13-14)12-25-20(17)24-11-15;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);2-10,13-17H,11-12H2,1H3,(H,28,31)(H,29,30);1,3-11,13-17H,12H2,(H,28,31)(H,29,30);1-15H,(H,25,26)(H,27,28);1-13H,(H,24,25);3-10H,1-2H3,(H,18,19)(H,20,21,22);1-7H,(H,14,15)(H,16,17,18)
InChIKeyNCUUUCQOCQKGNO-UHFFFAOYSA-N
MW3142.43 g/mol
LogP41.05
Rot. Bonds39

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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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 159743972) has the molecular formula C188H145N31O19 and a molecular weight of 3142.43 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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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 CID159743972
Molecular FormulaC188H145N31O19
Molecular Weight3142.43 g/mol
Exact Mass3140.13
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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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.COCCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NC1CCC(O)CC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1ccccc1)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1cccnc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1cnc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccoc4)c3c2)nc1.c1n[nH]c(-c2cnc3[nH]cc(-c4ccoc4)c3c2)n1
InChIInChI=1S/C30H27N3O4.C29H20N4O3.C27H23N3O4.C27H19N3O3.C24H17N3O2.C21H14N4O2.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;1-32-12-11-28-27(31)25-14-19(17-33-25)23-16-30-26-22(23)13-18(15-29-26)21-9-5-6-10-24(21)34-20-7-3-2-4-8-20;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;28-24(27-18-6-2-1-3-7-18)20-9-5-4-8-19(20)17-12-21-22(16-10-11-29-15-16)14-26-23(21)25-13-17;1-2-5-19(27-21-22-7-3-8-23-21)16(4-1)15-10-17-18(14-6-9-26-13-14)12-25-20(17)24-11-15;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);2-10,13-17H,11-12H2,1H3,(H,28,31)(H,29,30);1,3-11,13-17H,12H2,(H,28,31)(H,29,30);1-15H,(H,25,26)(H,27,28);1-13H,(H,24,25);3-10H,1-2H3,(H,18,19)(H,20,21,22);1-7H,(H,14,15)(H,16,17,18)
InChIKeyNCUUUCQOCQKGNO-UHFFFAOYSA-N
XLogP41.05
TPSA667.58 Ų
H-Bond Donors16
H-Bond Acceptors35
Rotatable Bonds39
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003142.43
LogP ≤ 541.05
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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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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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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 159743972) 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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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.COCCNC(=O)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(NC1CCC(O)CC1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.O=C(Nc1ccccc1)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1cccnc1)c1cc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)co1.c1cnc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccoc4)c3c2)nc1.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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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 NCUUUCQOCQKGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4.C29H20N4O3.C27H23N3O4.C27H19N3O3.C24H17N3O2.C21H14N4O2.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;1-32-12-11-28-27(31)25-14-19(17-33-25)23-16-30-26-22(23)13-18(15-29-26)21-9-5-6-10-24(21)34-20-7-3-2-4-8-20;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;28-24(27-18-6-2-1-3-7-18)20-9-5-4-8-19(20)17-12-21-22(16-10-11-29-15-16)14-26-23(21)25-13-17;1-2-5-19(27-21-22-7-3-8-23-21)16(4-1)15-10-17-18(14-6-9-26-13-14)12-25-20(17)24-11-15;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);2-10,13-17H,11-12H2,1H3,(H,28,31)(H,29,30);1,3-11,13-17H,12H2,(H,28,31)(H,29,30);1-15H,(H,25,26)(H,27,28);1-13H,(H,24,25);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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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 3142.43 g/mol, XLogP of 41.05, 39 rotatable bonds, 16 hydrogen bond donors, and 35 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-(2-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-phenylbenzamide;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;N-(2-methoxyethyl)-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 159743972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).