5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine

C100H126F3N23 — CID 157229869

About 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine

5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine (PubChem CID 157229869) has the molecular formula C100H126F3N23 and a molecular weight of 1707.26 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

• Compound Name: 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine
• PubChem CID: 157229869
• Molecular Formula: C100H126F3N23
• Molecular Weight: 1707.26 g/mol
• Exact Mass: 1706.05
• IUPAC Name: 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine
• SMILES: CC(C)(C)c1cnc2[nH]cc(C#N)c2c1.CC(C)(C)c1cnc2[nH]cc(C(F)(F)F)c2c1.CC(C)c1c[nH]c2ncc(C(C)(C)C)cc12.CC(C)c1cnc(N)c2c1CC=N2.CC(C)c1cnc2ccnn2c1.CC(C)c1cnc2nc[nH]c2c1.CC1=NCc2ncc(C(C)C)cc21.CCc1[nH]nc2ncc(C(C)C)cc12.Cc1c[nH]c2ncc(C(C)(C)C)cc12
• InChI: InChI=1S/C14H20N2.C12H13F3N2.C12H13N3.C12H16N2.C11H15N3.C11H14N2.C10H13N3.2C9H11N3/c1-9(2)12-8-16-13-11(12)6-10(7-15-13)14(3,4)5;1-11(2,3)7-4-8-9(12(13,14)15)6-17-10(8)16-5-7;1-12(2,3)9-4-10-8(5-13)6-14-11(10)15-7-9;1-8-6-13-11-10(8)5-9(7-14-11)12(2,3)4;1-4-10-9-5-8(7(2)3)6-12-11(9)14-13-10;1-7(2)9-4-10-8(3)12-6-11(10)13-5-9;1-6(2)8-5-13-10(11)9-7(8)3-4-12-9;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-7(2)8-5-10-9-3-4-11-12(9)6-8/h6-9H,1-5H3,(H,15,16);4-6H,1-3H3,(H,16,17);4,6-7H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);5-7H,4H2,1-3H3,(H,12,13,14);4-5,7H,6H2,1-3H3;4-6H,3H2,1-2H3,(H2,11,13);3-6H,1-2H3,(H,10,11,12);3-7H,1-2H3
• InChIKey: ATYZOPLNQOEAAY-UHFFFAOYSA-N
• XLogP: 24.91
• TPSA: 328.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1707.26
LogP ≤ 5	24.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine?

The IUPAC name of 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine (CID 157229869) is 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine.

What is the SMILES notation for 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine?

The canonical SMILES for 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine is CC(C)(C)c1cnc2[nH]cc(C#N)c2c1.CC(C)(C)c1cnc2[nH]cc(C(F)(F)F)c2c1.CC(C)c1c[nH]c2ncc(C(C)(C)C)cc12.CC(C)c1cnc(N)c2c1CC=N2.CC(C)c1cnc2ccnn2c1.CC(C)c1cnc2nc[nH]c2c1.CC1=NCc2ncc(C(C)C)cc21.CCc1[nH]nc2ncc(C(C)C)cc12.Cc1c[nH]c2ncc(C(C)(C)C)cc12.

What is the InChIKey of 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine?

The InChIKey is ATYZOPLNQOEAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C12H13F3N2.C12H13N3.C12H16N2.C11H15N3.C11H14N2.C10H13N3.2C9H11N3/c1-9(2)12-8-16-13-11(12)6-10(7-15-13)14(3,4)5;1-11(2,3)7-4-8-9(12(13,14)15)6-17-10(8)16-5-7;1-12(2,3)9-4-10-8(5-13)6-14-11(10)15-7-9;1-8-6-13-11-10(8)5-9(7-14-11)12(2,3)4;1-4-10-9-5-8(7(2)3)6-12-11(9)14-13-10;1-7(2)9-4-10-8(3)12-6-11(10)13-5-9;1-6(2)8-5-13-10(11)9-7(8)3-4-12-9;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-7(2)8-5-10-9-3-4-11-12(9)6-8/h6-9H,1-5H3,(H,15,16);4-6H,1-3H3,(H,16,17);4,6-7H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);5-7H,4H2,1-3H3,(H,12,13,14);4-5,7H,6H2,1-3H3;4-6H,3H2,1-2H3,(H2,11,13);3-6H,1-2H3,(H,10,11,12);3-7H,1-2H3.

What are the key properties of 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine?

5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 1707.26 g/mol, XLogP of 24.91, 7 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 157229869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).