5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

C113H112ClN15O9 — CID 159368733

About 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159368733) has the molecular formula C113H112ClN15O9 and a molecular weight of 1859.69 g/mol. Its IUPAC name is 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159368733
• Molecular Formula: C113H112ClN15O9
• Molecular Weight: 1859.69 g/mol
• Exact Mass: 1857.85
• IUPAC Name: 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: CCC(C)c1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCCOc1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCOc1ccc(Cc2cnc3[nH]ccc3c2)cc1.COc1cc(Cc2cnc3[nH]ccc3c2)cc(OC)c1OC.COc1ccc(Cc2cnc3[nH]ccc3c2)cc1.COc1ccc(Cc2cnc3[nH]ccc3c2)cc1Cl.c1cc2cc(Nc3ccc4c(c3)OCCO4)cnc2[nH]1
• InChI: InChI=1S/C18H20N2.C17H18N2O3.C17H18N2O.C16H16N2O.C15H13ClN2O.C15H13N3O2.C15H14N2O/c1-3-13(2)16-6-4-14(5-7-16)10-15-11-17-8-9-19-18(17)20-12-15;1-20-14-8-11(9-15(21-2)16(14)22-3)6-12-7-13-4-5-18-17(13)19-10-12;1-2-9-20-16-5-3-13(4-6-16)10-14-11-15-7-8-18-17(15)19-12-14;1-2-19-15-5-3-12(4-6-15)9-13-10-14-7-8-17-16(14)18-11-13;1-19-14-3-2-10(8-13(14)16)6-11-7-12-4-5-17-15(12)18-9-11;1-2-13-14(20-6-5-19-13)8-11(1)18-12-7-10-3-4-16-15(10)17-9-12;1-18-14-4-2-11(3-5-14)8-12-9-13-6-7-16-15(13)17-10-12/h4-9,11-13H,3,10H2,1-2H3,(H,19,20);4-5,7-10H,6H2,1-3H3,(H,18,19);3-8,11-12H,2,9-10H2,1H3,(H,18,19);3-8,10-11H,2,9H2,1H3,(H,17,18);2-5,7-9H,6H2,1H3,(H,17,18);1-4,7-9,18H,5-6H2,(H,16,17);2-7,9-10H,8H2,1H3,(H,16,17)
• InChIKey: LJLQHXAYIALPHC-UHFFFAOYSA-N
• XLogP: 25.40
• TPSA: 295.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1859.69
LogP ≤ 5	25.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 159368733) is 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is CCC(C)c1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCCOc1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCOc1ccc(Cc2cnc3[nH]ccc3c2)cc1.COc1cc(Cc2cnc3[nH]ccc3c2)cc(OC)c1OC.COc1ccc(Cc2cnc3[nH]ccc3c2)cc1.COc1ccc(Cc2cnc3[nH]ccc3c2)cc1Cl.c1cc2cc(Nc3ccc4c(c3)OCCO4)cnc2[nH]1.

What is the InChIKey of 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is LJLQHXAYIALPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C17H18N2O3.C17H18N2O.C16H16N2O.C15H13ClN2O.C15H13N3O2.C15H14N2O/c1-3-13(2)16-6-4-14(5-7-16)10-15-11-17-8-9-19-18(17)20-12-15;1-20-14-8-11(9-15(21-2)16(14)22-3)6-12-7-13-4-5-18-17(13)19-10-12;1-2-9-20-16-5-3-13(4-6-16)10-14-11-15-7-8-18-17(15)19-12-14;1-2-19-15-5-3-12(4-6-15)9-13-10-14-7-8-17-16(14)18-11-13;1-19-14-3-2-10(8-13(14)16)6-11-7-12-4-5-17-15(12)18-9-11;1-2-13-14(20-6-5-19-13)8-11(1)18-12-7-10-3-4-16-15(10)17-9-12;1-18-14-4-2-11(3-5-14)8-12-9-13-6-7-16-15(13)17-10-12/h4-9,11-13H,3,10H2,1-2H3,(H,19,20);4-5,7-10H,6H2,1-3H3,(H,18,19);3-8,11-12H,2,9-10H2,1H3,(H,18,19);3-8,10-11H,2,9H2,1H3,(H,17,18);2-5,7-9H,6H2,1H3,(H,17,18);1-4,7-9,18H,5-6H2,(H,16,17);2-7,9-10H,8H2,1H3,(H,16,17).

What are the key properties of 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?

5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1859.69 g/mol, XLogP of 25.40, 26 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-butan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-chloro-4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-[(4-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159368733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).