2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

C122H145F6N23O3 — CID 161372233

About 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 161372233) has the molecular formula C122H145F6N23O3 and a molecular weight of 2095.65 g/mol. Its IUPAC name is 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 161372233
• Molecular Formula: C122H145F6N23O3
• Molecular Weight: 2095.65 g/mol
• Exact Mass: 2094.18
• IUPAC Name: 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
• SMILES: COc1ccc(Cn2c(C(C)(C)C)cc3cccnc32)cc1.COc1cccc(Cn2c(C(C)(C)C)cc3cccnc32)c1.Cc1nn(C)cc1Cn1c(C(C)(C)C)cc2cccnc21.Cc1noc(C)c1Cn1c(C(C)(C)C)cc2cccnc21.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)c(C(F)(F)F)n1.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)cn1.Cn1nc(C(F)(F)F)cc1Cn1c(C(C)(C)C)cc2cccnc21
• InChI: InChI=1S/2C19H22N2O.2C17H19F3N4.C17H22N4.C17H21N3O.C16H20N4/c1-19(2,3)17-12-15-8-6-10-20-18(15)21(17)13-14-7-5-9-16(11-14)22-4;1-19(2,3)17-12-15-6-5-11-20-18(15)21(17)13-14-7-9-16(22-4)10-8-14;1-16(2,3)14-8-11-6-5-7-21-15(11)24(14)10-12-9-13(17(18,19)20)22-23(12)4;1-16(2,3)13-8-11-6-5-7-21-15(11)24(13)10-12-9-23(4)22-14(12)17(18,19)20;1-12-14(10-20(5)19-12)11-21-15(17(2,3)4)9-13-7-6-8-18-16(13)21;1-11-14(12(2)21-19-11)10-20-15(17(3,4)5)9-13-7-6-8-18-16(13)20;1-16(2,3)14-8-13-6-5-7-17-15(13)20(14)11-12-9-18-19(4)10-12/h2*5-12H,13H2,1-4H3;2*5-9H,10H2,1-4H3;6-10H,11H2,1-5H3;6-9H,10H2,1-5H3;5-10H,11H2,1-4H3
• InChIKey: VQPNPJCDONPGBQ-UHFFFAOYSA-N
• XLogP: 27.58
• TPSA: 240.51 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2095.65
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 161372233) is 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is COc1ccc(Cn2c(C(C)(C)C)cc3cccnc32)cc1.COc1cccc(Cn2c(C(C)(C)C)cc3cccnc32)c1.Cc1nn(C)cc1Cn1c(C(C)(C)C)cc2cccnc21.Cc1noc(C)c1Cn1c(C(C)(C)C)cc2cccnc21.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)c(C(F)(F)F)n1.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)cn1.Cn1nc(C(F)(F)F)cc1Cn1c(C(C)(C)C)cc2cccnc21.

What is the InChIKey of 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is VQPNPJCDONPGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22N2O.2C17H19F3N4.C17H22N4.C17H21N3O.C16H20N4/c1-19(2,3)17-12-15-8-6-10-20-18(15)21(17)13-14-7-5-9-16(11-14)22-4;1-19(2,3)17-12-15-6-5-11-20-18(15)21(17)13-14-7-9-16(22-4)10-8-14;1-16(2,3)14-8-11-6-5-7-21-15(11)24(14)10-12-9-13(17(18,19)20)22-23(12)4;1-16(2,3)13-8-11-6-5-7-21-15(11)24(13)10-12-9-23(4)22-14(12)17(18,19)20;1-12-14(10-20(5)19-12)11-21-15(17(2,3)4)9-13-7-6-8-18-16(13)21;1-11-14(12(2)21-19-11)10-20-15(17(3,4)5)9-13-7-6-8-18-16(13)20;1-16(2,3)14-8-13-6-5-7-17-15(13)20(14)11-12-9-18-19(4)10-12/h2*5-12H,13H2,1-4H3;2*5-9H,10H2,1-4H3;6-10H,11H2,1-5H3;6-9H,10H2,1-5H3;5-10H,11H2,1-4H3.

What are the key properties of 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?

2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2095.65 g/mol, XLogP of 27.58, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 161372233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).