ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine

C182H275N29 — CID 162021600

About ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine

ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 162021600) has the molecular formula C182H275N29 and a molecular weight of 2869.40 g/mol. Its IUPAC name is ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 162021600
• Molecular Formula: C182H275N29
• Molecular Weight: 2869.40 g/mol
• Exact Mass: 2867.24
• IUPAC Name: ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc[nH]c2cn1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2n1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc2[nH]ccc12.CC(C)c1nccc2[nH]ccc12.CC(C)c1nccc2[nH]ncc12.CC(C)c1ncnc2[nH]ccc12
• InChI: InChI=1S/3C11H13N.10C10H12N2.2C9H11N3.15C2H6.CH4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)10-8-3-5-11-9(8)4-6-12-10;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-8-3-4-11-10(8)6-12-9;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10(12-8)5-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)9-7-5-11-12-8(7)3-4-10-9;1-6(2)8-7-3-4-10-9(7)12-5-11-8;15*1-2;/h3*3-8,12H,1-2H3;3-7,11H,1-2H3;3-7H,1-2H3,(H,11,12);3-7,12H,1-2H3;3-7,11H,1-2H3;3*3-7H,1-2H3,(H,11,12);3-7,11H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);15*1-2H3;1H4
• InChIKey: YUUXZZFUSUWRGP-UHFFFAOYSA-N
• XLogP: 56.93
• TPSA: 417.31 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2869.40
LogP ≤ 5	56.93
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 162021600) is ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc[nH]c2cn1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2n1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc2[nH]ccc12.CC(C)c1nccc2[nH]ccc12.CC(C)c1nccc2[nH]ncc12.CC(C)c1ncnc2[nH]ccc12.

What is the InChIKey of ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is YUUXZZFUSUWRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H13N.10C10H12N2.2C9H11N3.15C2H6.CH4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)10-8-3-5-11-9(8)4-6-12-10;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-8-3-4-11-10(8)6-12-9;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10(12-8)5-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)9-7-5-11-12-8(7)3-4-10-9;1-6(2)8-7-3-4-10-9(7)12-5-11-8;15*1-2;/h3*3-8,12H,1-2H3;3-7,11H,1-2H3;3-7H,1-2H3,(H,11,12);3-7,12H,1-2H3;3-7,11H,1-2H3;3*3-7H,1-2H3,(H,11,12);3-7,11H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);15*1-2H3;1H4.

What are the key properties of ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?

ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 2869.40 g/mol, XLogP of 56.93, 15 rotatable bonds, 15 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 162021600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).