5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C118H128N30O2S — CID 158892053

About 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158892053) has the molecular formula C118H128N30O2S and a molecular weight of 2030.60 g/mol. Its IUPAC name is 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158892053
• Molecular Formula: C118H128N30O2S
• Molecular Weight: 2030.60 g/mol
• Exact Mass: 2029.06
• IUPAC Name: 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: CCCCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCSc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CN(C)c1ccc(Oc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc1.COc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.Cn1cc(-c2c[nH]c3ncc(CCC(C)(C)C)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CN4CCc5ccccc54)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Cc4ccccc4)cc23)cn1
• InChI: InChI=1S/C20H19N5.C19H19N5O.C18H16N4.C18H24N4.C17H22N4.C15H18N4S.C11H10N4O/c1-24-13-16(10-23-24)18-11-22-20-17(18)8-14(9-21-20)12-25-7-6-15-4-2-3-5-19(15)25;1-23(2)14-4-6-15(7-5-14)25-16-8-17-18(11-21-19(17)20-10-16)13-9-22-24(3)12-13;1-22-12-15(10-21-22)17-11-20-18-16(17)8-14(9-19-18)7-13-5-3-2-4-6-13;1-3-4-5-6-7-8-14-9-16-17(12-20-18(16)19-10-14)15-11-21-22(2)13-15;1-17(2,3)6-5-12-7-14-15(10-19-16(14)18-8-12)13-9-20-21(4)11-13;1-3-4-5-20-12-6-13-14(9-17-15(13)16-8-12)11-7-18-19(2)10-11;1-16-8-2-9-10(7-3-14-15-4-7)6-13-11(9)12-5-8/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,22);4-12H,1-3H3,(H,20,21);2-6,8-12H,7H2,1H3,(H,19,20);9-13H,3-8H2,1-2H3,(H,19,20);7-11H,5-6H2,1-4H3,(H,18,19);6-10H,3-5H2,1-2H3,(H,16,17);2-6H,1H3,(H,12,13)(H,14,15)
• InChIKey: JEJAUIRIXJXXNY-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 361.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2030.60
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 158892053) is 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is CCCCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCSc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CN(C)c1ccc(Oc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc1.COc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.Cn1cc(-c2c[nH]c3ncc(CCC(C)(C)C)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CN4CCc5ccccc54)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Cc4ccccc4)cc23)cn1.

What is the InChIKey of 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is JEJAUIRIXJXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5.C19H19N5O.C18H16N4.C18H24N4.C17H22N4.C15H18N4S.C11H10N4O/c1-24-13-16(10-23-24)18-11-22-20-17(18)8-14(9-21-20)12-25-7-6-15-4-2-3-5-19(15)25;1-23(2)14-4-6-15(7-5-14)25-16-8-17-18(11-21-19(17)20-10-16)13-9-22-24(3)12-13;1-22-12-15(10-21-22)17-11-20-18-16(17)8-14(9-19-18)7-13-5-3-2-4-6-13;1-3-4-5-6-7-8-14-9-16-17(12-20-18(16)19-10-14)15-11-21-22(2)13-15;1-17(2,3)6-5-12-7-14-15(10-19-16(14)18-8-12)13-9-20-21(4)11-13;1-3-4-5-20-12-6-13-14(9-17-15(13)16-8-12)11-7-18-19(2)10-11;1-16-8-2-9-10(7-3-14-15-4-7)6-13-11(9)12-5-8/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,22);4-12H,1-3H3,(H,20,21);2-6,8-12H,7H2,1H3,(H,19,20);9-13H,3-8H2,1-2H3,(H,19,20);7-11H,5-6H2,1-4H3,(H,18,19);6-10H,3-5H2,1-2H3,(H,16,17);2-6H,1H3,(H,12,13)(H,14,15).

What are the key properties of 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2030.60 g/mol, XLogP of 25.14, 27 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydroindol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]aniline;5-heptyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-methoxy-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158892053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).