4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide

C186H238BrCl6FN28S5 — CID 159390569

About 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide

4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide (PubChem CID 159390569) has the molecular formula C186H238BrCl6FN28S5 and a molecular weight of 3338.10 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide.

Molecular Properties

• Compound Name: 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide
• PubChem CID: 159390569
• Molecular Formula: C186H238BrCl6FN28S5
• Molecular Weight: 3338.10 g/mol
• Exact Mass: 3331.54
• IUPAC Name: 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide
• SMILES: CC(C)(C)c1[nH]c2ccncc2c1F.CC(C)(C)c1cc2c(Br)cncc2[nH]1.CC(C)(C)c1cc2c(s1)CNC2.CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc(C#N)s1.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2scc(Cl)c2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.Cc1nc(N)ccc1C(C)(C)C.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cnc2cc(C(C)(C)C)ccc21.[H]/N=C(\N)c1ccc(C(C)(C)C)s1
• InChI: InChI=1S/2C12H15ClN2.C12H14ClN.C12H16N2.C12H17N.C11H13BrN2.C11H13ClN2.2C11H12ClNS.C11H13FN2.3C11H14N2.C10H16N2.C10H15NS.C9H14N2S.C9H11NS/c2*1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)10-4-7-8(12)5-13-6-9(7)14-10;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-9(12)7-6-13-5-4-8(7)14-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-7-8(10(2,3)4)5-6-9(11)12-7;1-10(2,3)9-4-7-5-11-6-8(7)12-9;1-9(2,3)7-5-4-6(12-7)8(10)11;1-9(2,3)8-5-4-7(6-10)11-8/h2*5-7H,1-4H3;4,6-7H,5H2,1-3H3;5-8H,1-4H3;4-6,13H,7-8H2,1-3H3;4-6,14H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-6,14H,1-3H3;3*4-7,13H,1-3H3;5-6H,1-4H3,(H2,11,12);4,11H,5-6H2,1-3H3;4-5H,1-3H3,(H3,10,11);4-5H,1-3H3
• InChIKey: LMBCVAWYKDCFMC-UHFFFAOYSA-N
• XLogP: 53.17
• TPSA: 389.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 1
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3338.10
LogP ≤ 5	53.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide?

The IUPAC name of 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide (CID 159390569) is 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide.

What is the SMILES notation for 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide?

The canonical SMILES for 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide is CC(C)(C)c1[nH]c2ccncc2c1F.CC(C)(C)c1cc2c(Br)cncc2[nH]1.CC(C)(C)c1cc2c(s1)CNC2.CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc(C#N)s1.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2scc(Cl)c2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.Cc1nc(N)ccc1C(C)(C)C.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cnc2cc(C(C)(C)C)ccc21.[H]/N=C(\N)c1ccc(C(C)(C)C)s1.

What is the InChIKey of 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide?

The InChIKey is LMBCVAWYKDCFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15ClN2.C12H14ClN.C12H16N2.C12H17N.C11H13BrN2.C11H13ClN2.2C11H12ClNS.C11H13FN2.3C11H14N2.C10H16N2.C10H15NS.C9H14N2S.C9H11NS/c2*1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)10-4-7-8(12)5-13-6-9(7)14-10;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-9(12)7-6-13-5-4-8(7)14-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-7-8(10(2,3)4)5-6-9(11)12-7;1-10(2,3)9-4-7-5-11-6-8(7)12-9;1-9(2,3)7-5-4-6(12-7)8(10)11;1-9(2,3)8-5-4-7(6-10)11-8/h2*5-7H,1-4H3;4,6-7H,5H2,1-3H3;5-8H,1-4H3;4-6,13H,7-8H2,1-3H3;4-6,14H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-6,14H,1-3H3;3*4-7,13H,1-3H3;5-6H,1-4H3,(H2,11,12);4,11H,5-6H2,1-3H3;4-5H,1-3H3,(H3,10,11);4-5H,1-3H3.

What are the key properties of 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide?

4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide has a molecular weight of 3338.10 g/mol, XLogP of 53.17, 1 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;bis(5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine);5-tert-butyl-3-chlorothieno[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;2-tert-butyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;5-tert-butylthiophene-2-carbonitrile;5-tert-butylthiophene-2-carboximidamide is sourced from PubChem (CID 159390569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).