tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol

C109H110N34O8S2 — CID 158979170

About tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol

tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol (PubChem CID 158979170) has the molecular formula C109H110N34O8S2 and a molecular weight of 2088.44 g/mol. Its IUPAC name is tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol.

Molecular Properties

• Compound Name: tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol
• PubChem CID: 158979170
• Molecular Formula: C109H110N34O8S2
• Molecular Weight: 2088.44 g/mol
• Exact Mass: 2086.87
• IUPAC Name: tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol
• SMILES: C#CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CC(C)(C)OC(=O)Nc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCS(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCSc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.COCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(OCc4ccccc4)cc23)cn1.Nc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.Oc1cnc2[nH]cc(-c3cn[nH]c3)c2c1
• InChI: InChI=1S/C18H16N4O.C15H17N5O2.C14H16N4O2.C14H16N4OS.C14H12N4O.C14H16N4S.C10H9N5.C10H8N4O/c1-22-11-14(8-21-22)17-10-20-18-16(17)7-15(9-19-18)23-12-13-5-3-2-4-6-13;1-15(2,3)22-14(21)20-10-4-11-12(9-5-18-19-6-9)8-17-13(11)16-7-10;1-18-9-10(6-17-18)13-8-16-14-12(13)5-11(7-15-14)20-4-3-19-2;1-2-3-4-20(19)11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-3-4-19-11-5-12-13(8-16-14(12)15-7-11)10-6-17-18(2)9-10;1-2-3-4-19-11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;11-7-1-8-9(6-2-14-15-3-6)5-13-10(8)12-4-7;15-7-1-8-9(6-2-13-14-3-6)5-12-10(8)11-4-7/h2-11H,12H2,1H3,(H,19,20);4-8H,1-3H3,(H,16,17)(H,18,19)(H,20,21);5-9H,3-4H2,1-2H3,(H,15,16);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);1,5-9H,4H2,2H3,(H,15,16);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);1-5H,11H2,(H,12,13)(H,14,15);1-5,15H,(H,11,12)(H,13,14)
• InChIKey: JOTTUJDBYZQODV-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 564.87 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.44
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol?

The IUPAC name of tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol (CID 158979170) is tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol.

What is the SMILES notation for tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol?

The canonical SMILES for tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol is C#CCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CC(C)(C)OC(=O)Nc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCS(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.CCCCSc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.COCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(OCc4ccccc4)cc23)cn1.Nc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.Oc1cnc2[nH]cc(-c3cn[nH]c3)c2c1.

What is the InChIKey of tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol?

The InChIKey is JOTTUJDBYZQODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O.C15H17N5O2.C14H16N4O2.C14H16N4OS.C14H12N4O.C14H16N4S.C10H9N5.C10H8N4O/c1-22-11-14(8-21-22)17-10-20-18-16(17)7-15(9-19-18)23-12-13-5-3-2-4-6-13;1-15(2,3)22-14(21)20-10-4-11-12(9-5-18-19-6-9)8-17-13(11)16-7-10;1-18-9-10(6-17-18)13-8-16-14-12(13)5-11(7-15-14)20-4-3-19-2;1-2-3-4-20(19)11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;1-3-4-19-11-5-12-13(8-16-14(12)15-7-11)10-6-17-18(2)9-10;1-2-3-4-19-11-5-12-13(10-6-17-18-7-10)9-16-14(12)15-8-11;11-7-1-8-9(6-2-14-15-3-6)5-13-10(8)12-4-7;15-7-1-8-9(6-2-13-14-3-6)5-12-10(8)11-4-7/h2-11H,12H2,1H3,(H,19,20);4-8H,1-3H3,(H,16,17)(H,18,19)(H,20,21);5-9H,3-4H2,1-2H3,(H,15,16);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);1,5-9H,4H2,2H3,(H,15,16);5-9H,2-4H2,1H3,(H,15,16)(H,17,18);1-5H,11H2,(H,12,13)(H,14,15);1-5,15H,(H,11,12)(H,13,14).

What are the key properties of tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol?

tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol has a molecular weight of 2088.44 g/mol, XLogP of 20.71, 26 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;5-butylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-butylsulfinyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methoxyethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-ol is sourced from PubChem (CID 158979170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).