[5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide

C166H192F4N22O17S2 — CID 158613881

About [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide

[5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 158613881) has the molecular formula C166H192F4N22O17S2 and a molecular weight of 2907.62 g/mol. Its IUPAC name is [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide
• PubChem CID: 158613881
• Molecular Formula: C166H192F4N22O17S2
• Molecular Weight: 2907.62 g/mol
• Exact Mass: 2905.42
• IUPAC Name: [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide
• SMILES: CCN(CC)CCCOc1cnc2[nH]cc(C(O)c3ccc(CCc4ccc(C)cc4)nc3)c2c1.CCN(CC)CCCOc1cnc2[nH]cc(C(OC)c3ccc(CCc4ccc(C)cc4)nc3)c2c1.CCN(CC)CCCOc1cnc2[nH]cc(C(OC)c3ccc(CCc4ccc(C)cc4)nc3)c2c1.CCN(CC)CCCOc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.COCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.COCCOc1cnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1
• InChI: InChI=1S/2C30H38N4O2.C29H36N4O2.C29H36N4O.C24H23F2N3O5S.C24H21F2N3O5S/c2*1-5-34(6-2)16-7-17-36-26-18-27-28(21-33-30(27)32-20-26)29(35-4)24-13-15-25(31-19-24)14-12-23-10-8-22(3)9-11-23;1-4-33(5-2)15-6-16-35-25-17-26-27(20-32-29(26)31-19-25)28(34)23-12-14-24(30-18-23)13-11-22-9-7-21(3)8-10-22;1-4-33(5-2)15-6-16-34-27-18-28-25(20-31-29(28)32-21-27)17-24-12-14-26(30-19-24)13-11-23-9-7-22(3)8-10-23;2*1-14-4-3-5-16(10-14)35(31,32)29-20-7-6-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)34-9-8-33-2/h2*8-11,13,15,18-21,29H,5-7,12,14,16-17H2,1-4H3,(H,32,33);7-10,12,14,17-20,28,34H,4-6,11,13,15-16H2,1-3H3,(H,31,32);7-10,12,14,18-21H,4-6,11,13,15-17H2,1-3H3,(H,31,32);3-7,10-13,23,29-30H,8-9H2,1-2H3,(H,27,28);3-7,10-13,29H,8-9H2,1-2H3,(H,27,28)
• InChIKey: HXDVKXISNLSAKW-UHFFFAOYSA-N
• XLogP: 31.06
• TPSA: 478.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 68
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2907.62
LogP ≤ 5	31.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide?

The IUPAC name of [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide (CID 158613881) is [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide.

What is the SMILES notation for [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide?

The canonical SMILES for [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide is CCN(CC)CCCOc1cnc2[nH]cc(C(O)c3ccc(CCc4ccc(C)cc4)nc3)c2c1.CCN(CC)CCCOc1cnc2[nH]cc(C(OC)c3ccc(CCc4ccc(C)cc4)nc3)c2c1.CCN(CC)CCCOc1cnc2[nH]cc(C(OC)c3ccc(CCc4ccc(C)cc4)nc3)c2c1.CCN(CC)CCCOc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.COCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.COCCOc1cnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4cccc(C)c4)c3F)c2c1.

What is the InChIKey of [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide?

The InChIKey is HXDVKXISNLSAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H38N4O2.C29H36N4O2.C29H36N4O.C24H23F2N3O5S.C24H21F2N3O5S/c2*1-5-34(6-2)16-7-17-36-26-18-27-28(21-33-30(27)32-20-26)29(35-4)24-13-15-25(31-19-24)14-12-23-10-8-22(3)9-11-23;1-4-33(5-2)15-6-16-35-25-17-26-27(20-32-29(26)31-19-25)28(34)23-12-14-24(30-18-23)13-11-22-9-7-21(3)8-10-22;1-4-33(5-2)15-6-16-34-27-18-28-25(20-31-29(28)32-21-27)17-24-12-14-26(30-19-24)13-11-23-9-7-22(3)8-10-23;2*1-14-4-3-5-16(10-14)35(31,32)29-20-7-6-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)34-9-8-33-2/h2*8-11,13,15,18-21,29H,5-7,12,14,16-17H2,1-4H3,(H,32,33);7-10,12,14,17-20,28,34H,4-6,11,13,15-16H2,1-3H3,(H,31,32);7-10,12,14,18-21H,4-6,11,13,15-17H2,1-3H3,(H,31,32);3-7,10-13,23,29-30H,8-9H2,1-2H3,(H,27,28);3-7,10-13,29H,8-9H2,1-2H3,(H,27,28).

What are the key properties of [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide?

[5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 2907.62 g/mol, XLogP of 31.06, 68 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-(diethylamino)propoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methanol;bis(N,N-diethyl-3-[[3-[methoxy-[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine);N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 158613881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).