6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine

C96H123N21 — CID 158512679

About 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine

6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 158512679) has the molecular formula C96H123N21 and a molecular weight of 1571.19 g/mol. Its IUPAC name is 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine
• PubChem CID: 158512679
• Molecular Formula: C96H123N21
• Molecular Weight: 1571.19 g/mol
• Exact Mass: 1570.03
• IUPAC Name: 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine
• SMILES: CC(C)(C)c1cc2cc[nH]c2cn1.CC(C)(C)c1cc2nc[nH]c2cn1.CC(C)(C)c1ccc2[nH]ccc2n1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cncc2[nH]ccc12.CC(C)(C)c1cncc2[nH]cnc12.CC(C)(C)c1ncc2[nH]ccc2n1.CC(C)(C)c1nccc2[nH]ccc12
• InChI: InChI=1S/6C11H14N2.3C10H13N3/c1-11(2,3)10-8-4-6-12-9(8)5-7-13-10;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-6-12-7-10-8(9)4-5-13-10;1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)10-5-4-8-9(13-10)6-7-12-8;1-10(2,3)7-4-11-5-8-9(7)13-6-12-8;1-10(2,3)9-4-7-8(5-11-9)13-6-12-7;1-10(2,3)9-12-6-8-7(13-9)4-5-11-8/h4-7,12H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;4-7,12H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,12H,1-3H3;2*4-6H,1-3H3,(H,12,13);4-6,11H,1-3H3
• InChIKey: HLGDTUDUBZTPBA-UHFFFAOYSA-N
• XLogP: 23.93
• TPSA: 296.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1571.19
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine?

The IUPAC name of 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine (CID 158512679) is 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine.

What is the SMILES notation for 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine?

The canonical SMILES for 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine is CC(C)(C)c1cc2cc[nH]c2cn1.CC(C)(C)c1cc2nc[nH]c2cn1.CC(C)(C)c1ccc2[nH]ccc2n1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cncc2[nH]ccc12.CC(C)(C)c1cncc2[nH]cnc12.CC(C)(C)c1ncc2[nH]ccc2n1.CC(C)(C)c1nccc2[nH]ccc12.

What is the InChIKey of 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine?

The InChIKey is HLGDTUDUBZTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/6C11H14N2.3C10H13N3/c1-11(2,3)10-8-4-6-12-9(8)5-7-13-10;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)9-6-12-7-10-8(9)4-5-13-10;1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)10-5-4-8-9(13-10)6-7-12-8;1-10(2,3)7-4-11-5-8-9(7)13-6-12-8;1-10(2,3)9-4-7-8(5-11-9)13-6-12-7;1-10(2,3)9-12-6-8-7(13-9)4-5-11-8/h4-7,12H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;4-7,12H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,12H,1-3H3;2*4-6H,1-3H3,(H,12,13);4-6,11H,1-3H3.

What are the key properties of 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine?

6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 1571.19 g/mol, XLogP of 23.93, 0 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;4-tert-butyl-1H-pyrrolo[2,3-c]pyridine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 158512679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).