5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone

C128H149N29O5S2 — CID 158698817

About 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone

5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone (PubChem CID 158698817) has the molecular formula C128H149N29O5S2 and a molecular weight of 2237.93 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 158698817
• Molecular Formula: C128H149N29O5S2
• Molecular Weight: 2237.93 g/mol
• Exact Mass: 2236.17
• IUPAC Name: 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-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.CCCCCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCc1cnc2[nH]cc(-c3csc(C(=O)N4CCCCC4)n3)c2c1.Cn1cc(-c2c[nH]c3ncc(CC4CCC(O)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CCCCO)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Cn4ccc5ccccc54)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OCC4CC4)cc23)cn1
• InChI: InChI=1S/C21H26N4OS.C20H17N5.C20H24N4OS.C19H26N4.C18H22N4O.C15H16N4O.C15H18N4O/c1-2-3-5-8-15-11-16-17(13-23-19(16)22-12-15)18-14-27-20(24-18)21(26)25-9-6-4-7-10-25;1-24-13-16(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;1-13(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;1-3-4-5-6-7-8-9-15-10-17-18(13-21-19(17)20-11-15)16-12-22-23(2)14-16;1-22-11-14(9-21-22)17-10-20-18-16(17)7-13(8-19-18)6-12-2-4-15(23)5-3-12;1-19-8-11(5-18-19)14-7-17-15-13(14)4-12(6-16-15)20-9-10-2-3-10;1-19-10-12(8-18-19)14-9-17-15-13(14)6-11(7-16-15)4-2-3-5-20/h11-14H,2-10H2,1H3,(H,22,23);2-11,13H,12H2,1H3,(H,21,22);9-13H,3-8H2,1-2H3,(H,21,22);10-14H,3-9H2,1-2H3,(H,20,21);7-12,15,23H,2-6H2,1H3,(H,19,20);4-8,10H,2-3,9H2,1H3,(H,16,17);6-10,20H,2-5H2,1H3,(H,16,17)
• InChIKey: IHGURZHVDWBCSE-UHFFFAOYSA-N
• XLogP: 26.48
• TPSA: 410.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2237.93
LogP ≤ 5	26.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone (CID 158698817) is 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-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.CCCCCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCc1cnc2[nH]cc(-c3csc(C(=O)N4CCCCC4)n3)c2c1.Cn1cc(-c2c[nH]c3ncc(CC4CCC(O)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CCCCO)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Cn4ccc5ccccc54)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OCC4CC4)cc23)cn1.

What is the InChIKey of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?

The InChIKey is IHGURZHVDWBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS.C20H17N5.C20H24N4OS.C19H26N4.C18H22N4O.C15H16N4O.C15H18N4O/c1-2-3-5-8-15-11-16-17(13-23-19(16)22-12-15)18-14-27-20(24-18)21(26)25-9-6-4-7-10-25;1-24-13-16(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;1-13(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;1-3-4-5-6-7-8-9-15-10-17-18(13-21-19(17)20-11-15)16-12-22-23(2)14-16;1-22-11-14(9-21-22)17-10-20-18-16(17)7-13(8-19-18)6-12-2-4-15(23)5-3-12;1-19-8-11(5-18-19)14-7-17-15-13(14)4-12(6-16-15)20-9-10-2-3-10;1-19-10-12(8-18-19)14-9-17-15-13(14)6-11(7-16-15)4-2-3-5-20/h11-14H,2-10H2,1H3,(H,22,23);2-11,13H,12H2,1H3,(H,21,22);9-13H,3-8H2,1-2H3,(H,21,22);10-14H,3-9H2,1-2H3,(H,20,21);7-12,15,23H,2-6H2,1H3,(H,19,20);4-8,10H,2-3,9H2,1H3,(H,16,17);6-10,20H,2-5H2,1H3,(H,16,17).

What are the key properties of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone?

5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2237.93 g/mol, XLogP of 26.48, 33 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(indol-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;3-(1-methylpyrazol-4-yl)-5-octyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol;4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexan-1-ol;[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158698817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).