2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C137H175N27S4 — CID 158583948

About 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158583948) has the molecular formula C137H175N27S4 and a molecular weight of 2328.36 g/mol. Its IUPAC name is 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158583948
• Molecular Formula: C137H175N27S4
• Molecular Weight: 2328.36 g/mol
• Exact Mass: 2326.34
• IUPAC Name: 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: CC(C)(C)C1=CC2CC=CC2S1.CC(C)(C)c1[nH]nc2ncccc12.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2n1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1ccn2nccc2n1.CC(C)(C)c1cn2ccnc2cn1.CC(C)(C)c1csc2ncccc12
• InChI: InChI=1S/4C11H14N2.2C11H13NS.C11H16S.5C10H13N3.C10H12N2S/c1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)10-7-8-5-4-6-9(8)12-10;1-10(2,3)8-5-7-13-9(12-8)4-6-11-13;1-10(2,3)8-7-13-5-4-11-9(13)6-12-8;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7/h2*4-8H,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4,6-9H,5H2,1-3H3;4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3
• InChIKey: HTPBWQCVVJXZSC-UHFFFAOYSA-N
• XLogP: 35.13
• TPSA: 305.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2328.36
LogP ≤ 5	35.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 158583948) is 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)C1=CC2CC=CC2S1.CC(C)(C)c1[nH]nc2ncccc12.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2n1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1ccn2nccc2n1.CC(C)(C)c1cn2ccnc2cn1.CC(C)(C)c1csc2ncccc12.

What is the InChIKey of 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is HTPBWQCVVJXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H14N2.2C11H13NS.C11H16S.5C10H13N3.C10H12N2S/c1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)10-7-8-5-4-6-9(8)12-10;1-10(2,3)8-5-7-13-9(12-8)4-6-11-13;1-10(2,3)8-7-13-5-4-11-9(13)6-12-8;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7/h2*4-8H,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4,6-9H,5H2,1-3H3;4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3.

What are the key properties of 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2328.36 g/mol, XLogP of 35.13, 0 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158583948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).