1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)

C93H115N25 — CID 167547928

About 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)

1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine) (PubChem CID 167547928) has the molecular formula C93H115N25 and a molecular weight of 1583.12 g/mol. Its IUPAC name is 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine).

Molecular Properties

• Compound Name: 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)
• PubChem CID: 167547928
• Molecular Formula: C93H115N25
• Molecular Weight: 1583.12 g/mol
• Exact Mass: 1581.98
• IUPAC Name: 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)
• SMILES: CC(C)N1CCc2cccnc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2cccnc21.CC(C)n1cccn1.CC(C)n1cnc2cccnc21.CC(C)n1cnc2cccnc21.CC(C)n1ncc2cc(C#N)cnc21.CC(C)n1ncc2cccnc21.CC(C)n1ncc2cccnc21
• InChI: InChI=1S/C11H13N.C10H10N4.C10H14N2.2C10H12N2.4C9H11N3.C6H10N2/c1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)14-10-9(6-13-14)3-8(4-11)5-12-10;3*1-8(2)12-7-5-9-4-3-6-11-10(9)12;2*1-7(2)12-6-11-8-4-3-5-10-9(8)12;2*1-7(2)12-9-8(6-11-12)4-3-5-10-9;1-6(2)8-5-3-4-7-8/h3-9H,1-2H3;3,5-7H,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3
• InChIKey: CAOOSEWIJGQHTL-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 251.86 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1583.12
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)?

The IUPAC name of 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine) (CID 167547928) is 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine).

What is the SMILES notation for 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)?

The canonical SMILES for 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine) is CC(C)N1CCc2cccnc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2cccnc21.CC(C)n1cccn1.CC(C)n1cnc2cccnc21.CC(C)n1cnc2cccnc21.CC(C)n1ncc2cc(C#N)cnc21.CC(C)n1ncc2cccnc21.CC(C)n1ncc2cccnc21.

What is the InChIKey of 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)?

The InChIKey is CAOOSEWIJGQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C10H10N4.C10H14N2.2C10H12N2.4C9H11N3.C6H10N2/c1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)14-10-9(6-13-14)3-8(4-11)5-12-10;3*1-8(2)12-7-5-9-4-3-6-11-10(9)12;2*1-7(2)12-6-11-8-4-3-5-10-9(8)12;2*1-7(2)12-9-8(6-11-12)4-3-5-10-9;1-6(2)8-5-3-4-7-8/h3-9H,1-2H3;3,5-7H,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3.

What are the key properties of 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine)?

1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine) has a molecular weight of 1583.12 g/mol, XLogP of 21.71, 10 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(3-propan-2-ylimidazo[4,5-b]pyridine);1-propan-2-ylindole;1-propan-2-ylpyrazole;bis(1-propan-2-ylpyrazolo[5,4-b]pyridine);1-propan-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile;bis(1-propan-2-ylpyrrolo[2,3-b]pyridine) is sourced from PubChem (CID 167547928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).