N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C113H100Cl5N25O2 — CID 157206453

About N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 157206453) has the molecular formula C113H100Cl5N25O2 and a molecular weight of 2017.48 g/mol. Its IUPAC name is N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 157206453
• Molecular Formula: C113H100Cl5N25O2
• Molecular Weight: 2017.48 g/mol
• Exact Mass: 2013.69
• IUPAC Name: N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: COc1cccc(CNc2ccc3cc[nH]c3n2)c1.Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Clc1cc(Cl)cc(Nc2ccc3cc[nH]c3n2)c1.Clc1ccc(Nc2ccc3cc[nH]c3n2)cc1.Clc1cccc(Nc2ccc3cc[nH]c3n2)c1.Clc1ccccc1Nc1ccc2cc[nH]c2n1.c1ccc(CNc2ccc3cc[nH]c3n2)cc1.c1ccc(N2CCOCC2)c(Nc2ccc3cc[nH]c3n2)c1
• InChI: InChI=1S/C17H18N4O.C15H15N3O.C15H15N3.C14H13N3.C13H9Cl2N3.3C13H10ClN3/c1-2-4-15(21-9-11-22-12-10-21)14(3-1)19-16-6-5-13-7-8-18-17(13)20-16;1-19-13-4-2-3-11(9-13)10-17-14-6-5-12-7-8-16-15(12)18-14;1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14;1-2-4-11(5-3-1)10-16-13-7-6-12-8-9-15-14(12)17-13;14-9-5-10(15)7-11(6-9)17-12-2-1-8-3-4-16-13(8)18-12;14-10-2-4-11(5-3-10)16-12-6-1-9-7-8-15-13(9)17-12;14-10-2-1-3-11(8-10)16-12-5-4-9-6-7-15-13(9)17-12;14-10-3-1-2-4-11(10)16-12-6-5-9-7-8-15-13(9)17-12/h1-8H,9-12H2,(H2,18,19,20);2-9H,10H2,1H3,(H2,16,17,18);2-9H,10H2,1H3,(H2,16,17,18);1-9H,10H2,(H2,15,16,17);1-7H,(H2,16,17,18);3*1-8H,(H2,15,16,17)
• InChIKey: ARKJXGRTUWHMAD-UHFFFAOYSA-N
• XLogP: 29.48
• TPSA: 347.38 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.48
LogP ≤ 5	29.48
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The IUPAC name of N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 157206453) is N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

What is the SMILES notation for N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The canonical SMILES for N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is COc1cccc(CNc2ccc3cc[nH]c3n2)c1.Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Clc1cc(Cl)cc(Nc2ccc3cc[nH]c3n2)c1.Clc1ccc(Nc2ccc3cc[nH]c3n2)cc1.Clc1cccc(Nc2ccc3cc[nH]c3n2)c1.Clc1ccccc1Nc1ccc2cc[nH]c2n1.c1ccc(CNc2ccc3cc[nH]c3n2)cc1.c1ccc(N2CCOCC2)c(Nc2ccc3cc[nH]c3n2)c1.

What is the InChIKey of N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The InChIKey is ARKJXGRTUWHMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C15H15N3O.C15H15N3.C14H13N3.C13H9Cl2N3.3C13H10ClN3/c1-2-4-15(21-9-11-22-12-10-21)14(3-1)19-16-6-5-13-7-8-18-17(13)20-16;1-19-13-4-2-3-11(9-13)10-17-14-6-5-12-7-8-16-15(12)18-14;1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14;1-2-4-11(5-3-1)10-16-13-7-6-12-8-9-15-14(12)17-13;14-9-5-10(15)7-11(6-9)17-12-2-1-8-3-4-16-13(8)18-12;14-10-2-4-11(5-3-10)16-12-6-1-9-7-8-15-13(9)17-12;14-10-2-1-3-11(8-10)16-12-5-4-9-6-7-15-13(9)17-12;14-10-3-1-2-4-11(10)16-12-6-5-9-7-8-15-13(9)17-12/h1-8H,9-12H2,(H2,18,19,20);2-9H,10H2,1H3,(H2,16,17,18);2-9H,10H2,1H3,(H2,16,17,18);1-9H,10H2,(H2,15,16,17);1-7H,(H2,16,17,18);3*1-8H,(H2,15,16,17).

What are the key properties of N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 2017.48 g/mol, XLogP of 29.48, 21 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 157206453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).