methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C156H157N21O3S — CID 157386127

About methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157386127) has the molecular formula C156H157N21O3S and a molecular weight of 2406.18 g/mol. Its IUPAC name is methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157386127
• Molecular Formula: C156H157N21O3S
• Molecular Weight: 2406.18 g/mol
• Exact Mass: 2404.25
• IUPAC Name: methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: C.C.COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(=O)[nH]2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.c1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.c1csc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1
• InChI: InChI=1S/2C23H23N3O.2C23H23N3.C22H21N3O.C21H19N3.C19H17N3S.2CH4/c2*1-16-5-7-17(8-6-16)9-11-20-12-10-18(23(26-20)27-2)14-19-15-25-22-21(19)4-3-13-24-22;2*1-16-5-7-18(8-6-16)9-11-21-12-10-19(17(2)26-21)14-20-15-25-23-22(20)4-3-13-24-23;1-15-4-6-16(7-5-15)8-10-19-11-9-17(22(26)25-19)13-18-14-24-21-20(18)3-2-12-23-21;1-2-5-16(6-3-1)8-10-19-11-9-17(14-23-19)13-18-15-24-21-20(18)7-4-12-22-21;1-4-18-15(13-22-19(18)20-9-1)11-14-5-6-16(21-12-14)7-8-17-3-2-10-23-17;;/h2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2-7,9,11-12,14H,8,10,13H2,1H3,(H,23,24)(H,25,26);1-7,9,11-12,14-15H,8,10,13H2,(H,22,24);1-6,9-10,12-13H,7-8,11H2,(H,20,22);2*1H4
• InChIKey: BLLIVTFLRNPSIM-UHFFFAOYSA-N
• XLogP: 33.14
• TPSA: 329.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.18
LogP ≤ 5	33.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 157386127) is methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is C.C.COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.COc1nc(CCc2ccc(C)cc2)ccc1Cc1c[nH]c2ncccc12.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(=O)[nH]2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(C)n2)cc1.c1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.c1csc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1.

What is the InChIKey of methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BLLIVTFLRNPSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N3O.2C23H23N3.C22H21N3O.C21H19N3.C19H17N3S.2CH4/c2*1-16-5-7-17(8-6-16)9-11-20-12-10-18(23(26-20)27-2)14-19-15-25-22-21(19)4-3-13-24-22;2*1-16-5-7-18(8-6-16)9-11-21-12-10-19(17(2)26-21)14-20-15-25-23-22(20)4-3-13-24-23;1-15-4-6-16(7-5-15)8-10-19-11-9-17(22(26)25-19)13-18-14-24-21-20(18)3-2-12-23-21;1-2-5-16(6-3-1)8-10-19-11-9-17(14-23-19)13-18-15-24-21-20(18)7-4-12-22-21;1-4-18-15(13-22-19(18)20-9-1)11-14-5-6-16(21-12-14)7-8-17-3-2-10-23-17;;/h2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2*3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,24,25);2-7,9,11-12,14H,8,10,13H2,1H3,(H,23,24)(H,25,26);1-7,9,11-12,14-15H,8,10,13H2,(H,22,24);1-6,9-10,12-13H,7-8,11H2,(H,20,22);2*1H4.

What are the key properties of methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2406.18 g/mol, XLogP of 33.14, 37 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for methane;bis(3-[[2-methoxy-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[2-methyl-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);6-[2-(4-methylphenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;3-[[6-(2-phenylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-(2-thiophen-2-ylethyl)-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157386127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).