5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone

C135H164N30O3S — CID 157349625

About 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone

5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone (PubChem CID 157349625) has the molecular formula C135H164N30O3S and a molecular weight of 2287.07 g/mol. Its IUPAC name is 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

• Compound Name: 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone
• PubChem CID: 157349625
• Molecular Formula: C135H164N30O3S
• Molecular Weight: 2287.07 g/mol
• Exact Mass: 2285.33
• IUPAC Name: 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone
• SMILES: CC(C)CCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCc1cnc2[nH]cc(-c3csc(C(=O)N4CCOCC4)n3)c2c1.Cn1cc(-c2c[nH]c3ncc(CC4=CCCCC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CC4CCC(N5CCOCC5)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CC4CCCCC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CC4CCN(Cc5ccccc5)CC4)cc23)cn1
• InChI: InChI=1S/C24H27N5.C22H29N5O.C20H24N4O2S.C18H22N4.C18H20N4.C17H22N4.C16H20N4/c1-28-17-21(14-27-28)23-15-26-24-22(23)12-20(13-25-24)11-18-7-9-29(10-8-18)16-19-5-3-2-4-6-19;1-26-15-18(13-25-26)21-14-24-22-20(21)11-17(12-23-22)10-16-2-4-19(5-3-16)27-6-8-28-9-7-27;1-2-3-4-5-14-10-15-16(12-22-18(15)21-11-14)17-13-27-19(23-17)20(25)24-6-8-26-9-7-24;2*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;1-12(2)5-4-6-13-7-15-16(10-19-17(15)18-8-13)14-9-20-21(3)11-14;1-3-4-5-6-12-7-14-15(10-18-16(14)17-8-12)13-9-19-20(2)11-13/h2-6,12-15,17-18H,7-11,16H2,1H3,(H,25,26);11-16,19H,2-10H2,1H3,(H,23,24);10-13H,2-9H2,1H3,(H,21,22);8-13H,2-7H2,1H3,(H,19,20);5,8-12H,2-4,6-7H2,1H3,(H,19,20);7-12H,4-6H2,1-3H3,(H,18,19);7-11H,3-6H2,1-2H3,(H,17,18)
• InChIKey: BHJKFUCOVCUPJV-UHFFFAOYSA-N
• XLogP: 27.44
• TPSA: 365.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2287.07
LogP ≤ 5	27.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone?

The IUPAC name of 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone (CID 157349625) is 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone.

What is the SMILES notation for 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone?

The canonical SMILES for 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone is CC(C)CCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCc1cnc2[nH]cc(-c3csc(C(=O)N4CCOCC4)n3)c2c1.Cn1cc(-c2c[nH]c3ncc(CC4=CCCCC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CC4CCC(N5CCOCC5)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CC4CCCCC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CC4CCN(Cc5ccccc5)CC4)cc23)cn1.

What is the InChIKey of 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone?

The InChIKey is BHJKFUCOVCUPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5.C22H29N5O.C20H24N4O2S.C18H22N4.C18H20N4.C17H22N4.C16H20N4/c1-28-17-21(14-27-28)23-15-26-24-22(23)12-20(13-25-24)11-18-7-9-29(10-8-18)16-19-5-3-2-4-6-19;1-26-15-18(13-25-26)21-14-24-22-20(21)11-17(12-23-22)10-16-2-4-19(5-3-16)27-6-8-28-9-7-27;1-2-3-4-5-14-10-15-16(12-22-18(15)21-11-14)17-13-27-19(23-17)20(25)24-6-8-26-9-7-24;2*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;1-12(2)5-4-6-13-7-15-16(10-19-17(15)18-8-13)14-9-20-21(3)11-14;1-3-4-5-6-12-7-14-15(10-18-16(14)17-8-12)13-9-19-20(2)11-13/h2-6,12-15,17-18H,7-11,16H2,1H3,(H,25,26);11-16,19H,2-10H2,1H3,(H,23,24);10-13H,2-9H2,1H3,(H,21,22);8-13H,2-7H2,1H3,(H,19,20);5,8-12H,2-4,6-7H2,1H3,(H,19,20);7-12H,4-6H2,1-3H3,(H,18,19);7-11H,3-6H2,1-2H3,(H,17,18).

What are the key properties of 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone?

5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone has a molecular weight of 2287.07 g/mol, XLogP of 27.44, 31 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 157349625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).