5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone

C86H120N22O5 — CID 159241158

About 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone

5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone (PubChem CID 159241158) has the molecular formula C86H120N22O5 and a molecular weight of 1542.05 g/mol. Its IUPAC name is 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone
• PubChem CID: 159241158
• Molecular Formula: C86H120N22O5
• Molecular Weight: 1542.05 g/mol
• Exact Mass: 1540.98
• IUPAC Name: 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone
• SMILES: CC(C)(C)c1ncc2ccn(CC(=O)N3CCCCC3)c2n1.CC(C)(C)c1ncc2ccn(CC(=O)N3CCOCC3)c2n1.CN1CCN(C(=O)Cn2ccc3cnc(C(C)(C)C)nc32)CC1.CNC(=O)Cn1ccc2cnc(C(C)(C)C)nc21.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1cnc2ccc(C(C)(C)C)nc21
• InChI: InChI=1S/C17H25N5O.C17H24N4O.C16H22N4O2.C13H18N4O.C12H16N2.C11H15N3/c1-17(2,3)16-18-11-13-5-6-22(15(13)19-16)12-14(23)21-9-7-20(4)8-10-21;1-17(2,3)16-18-11-13-7-10-21(15(13)19-16)12-14(22)20-8-5-4-6-9-20;1-16(2,3)15-17-10-12-4-5-20(14(12)18-15)11-13(21)19-6-8-22-9-7-19;1-13(2,3)12-15-7-9-5-6-17(11(9)16-12)8-10(18)14-4;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;1-11(2,3)9-6-5-8-10(13-9)14(4)7-12-8/h5-6,11H,7-10,12H2,1-4H3;7,10-11H,4-6,8-9,12H2,1-3H3;4-5,10H,6-9,11H2,1-3H3;5-7H,8H2,1-4H3,(H,14,18);5-8H,1-4H3;5-7H,1-4H3
• InChIKey: KUCPRFGSHNFNRV-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 273.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1542.05
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone?

The IUPAC name of 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone (CID 159241158) is 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone.

What is the SMILES notation for 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone?

The canonical SMILES for 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone is CC(C)(C)c1ncc2ccn(CC(=O)N3CCCCC3)c2n1.CC(C)(C)c1ncc2ccn(CC(=O)N3CCOCC3)c2n1.CN1CCN(C(=O)Cn2ccc3cnc(C(C)(C)C)nc32)CC1.CNC(=O)Cn1ccc2cnc(C(C)(C)C)nc21.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1cnc2ccc(C(C)(C)C)nc21.

What is the InChIKey of 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone?

The InChIKey is KUCPRFGSHNFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.C17H24N4O.C16H22N4O2.C13H18N4O.C12H16N2.C11H15N3/c1-17(2,3)16-18-11-13-5-6-22(15(13)19-16)12-14(23)21-9-7-20(4)8-10-21;1-17(2,3)16-18-11-13-7-10-21(15(13)19-16)12-14(22)20-8-5-4-6-9-20;1-16(2,3)15-17-10-12-4-5-20(14(12)18-15)11-13(21)19-6-8-22-9-7-19;1-13(2,3)12-15-7-9-5-6-17(11(9)16-12)8-10(18)14-4;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;1-11(2,3)9-6-5-8-10(13-9)14(4)7-12-8/h5-6,11H,7-10,12H2,1-4H3;7,10-11H,4-6,8-9,12H2,1-3H3;4-5,10H,6-9,11H2,1-3H3;5-7H,8H2,1-4H3,(H,14,18);5-8H,1-4H3;5-7H,1-4H3.

What are the key properties of 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone?

5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone has a molecular weight of 1542.05 g/mol, XLogP of 12.44, 8 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-(4-methylpiperazin-1-yl)ethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 159241158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).