5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone

C130H156N28O8S6 — CID 159448541

About 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone

5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone (PubChem CID 159448541) has the molecular formula C130H156N28O8S6 and a molecular weight of 2431.27 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 159448541
• Molecular Formula: C130H156N28O8S6
• Molecular Weight: 2431.27 g/mol
• Exact Mass: 2429.10
• IUPAC Name: 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone
• SMILES: CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCCCC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCN(C)CC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCOCC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)O)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C4CCN(C)CC4)n3)c2c1.CCCCCc1cnc2[nH]cc(-c3csc(C(=O)N(C)C)n3)c2c1.Cn1cc(-c2c[nH]c3ncc(OCC4CCCCC4)cc23)cn1
• InChI: InChI=1S/C20H25N5OS.C20H24N4OS.C20H26N4S.C19H22N4O2S.C18H22N4OS.C18H22N4O.C15H15N3O2S/c1-13(2)8-14-9-15-16(11-22-18(15)21-10-14)17-12-27-19(23-17)20(26)25-6-4-24(3)5-7-25;1-13(2)8-14-9-15-16(11-22-18(15)21-10-14)17-12-26-19(23-17)20(25)24-6-4-3-5-7-24;1-13(2)8-14-9-16-17(11-22-19(16)21-10-14)18-12-25-20(23-18)15-4-6-24(3)7-5-15;1-12(2)7-13-8-14-15(10-21-17(14)20-9-13)16-11-26-18(22-16)19(24)23-3-5-25-6-4-23;1-4-5-6-7-12-8-13-14(10-20-16(13)19-9-12)15-11-24-17(21-15)18(23)22(2)3;1-22-11-14(8-21-22)17-10-20-18-16(17)7-15(9-19-18)23-12-13-5-3-2-4-6-13;1-8(2)3-9-4-10-11(6-17-13(10)16-5-9)12-7-21-14(18-12)15(19)20/h9-13H,4-8H2,1-3H3,(H,21,22);9-13H,3-8H2,1-2H3,(H,21,22);9-13,15H,4-8H2,1-3H3,(H,21,22);8-12H,3-7H2,1-2H3,(H,20,21);8-11H,4-7H2,1-3H3,(H,19,20);7-11,13H,2-6,12H2,1H3,(H,19,20);4-8H,3H2,1-2H3,(H,16,17)(H,19,20)
• InChIKey: LTBLZXKMVPWIEL-UHFFFAOYSA-N
• XLogP: 27.46
• TPSA: 439.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2431.27
LogP ≤ 5	27.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone (CID 159448541) is 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone is CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCCCC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCN(C)CC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCOCC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)O)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C4CCN(C)CC4)n3)c2c1.CCCCCc1cnc2[nH]cc(-c3csc(C(=O)N(C)C)n3)c2c1.Cn1cc(-c2c[nH]c3ncc(OCC4CCCCC4)cc23)cn1.

What is the InChIKey of 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?

The InChIKey is LTBLZXKMVPWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS.C20H24N4OS.C20H26N4S.C19H22N4O2S.C18H22N4OS.C18H22N4O.C15H15N3O2S/c1-13(2)8-14-9-15-16(11-22-18(15)21-10-14)17-12-27-19(23-17)20(26)25-6-4-24(3)5-7-25;1-13(2)8-14-9-15-16(11-22-18(15)21-10-14)17-12-26-19(23-17)20(25)24-6-4-3-5-7-24;1-13(2)8-14-9-16-17(11-22-19(16)21-10-14)18-12-25-20(23-18)15-4-6-24(3)7-5-15;1-12(2)7-13-8-14-15(10-21-17(14)20-9-13)16-11-26-18(22-16)19(24)23-3-5-25-6-4-23;1-4-5-6-7-12-8-13-14(10-20-16(13)19-9-12)15-11-24-17(21-15)18(23)22(2)3;1-22-11-14(8-21-22)17-10-20-18-16(17)7-15(9-19-18)23-12-13-5-3-2-4-6-13;1-8(2)3-9-4-10-11(6-17-13(10)16-5-9)12-7-21-14(18-12)15(19)20/h9-13H,4-8H2,1-3H3,(H,21,22);9-13H,3-8H2,1-2H3,(H,21,22);9-13,15H,4-8H2,1-3H3,(H,21,22);8-12H,3-7H2,1-2H3,(H,20,21);8-11H,4-7H2,1-3H3,(H,19,20);7-11,13H,2-6,12H2,1H3,(H,19,20);4-8H,3H2,1-2H3,(H,16,17)(H,19,20).

What are the key properties of 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?

5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2431.27 g/mol, XLogP of 27.46, 30 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide;(4-methylpiperazin-1-yl)-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone;2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159448541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).