N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C150H145Cl2N31O3 — CID 158175744

About N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 158175744) has the molecular formula C150H145Cl2N31O3 and a molecular weight of 2500.93 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 158175744
• Molecular Formula: C150H145Cl2N31O3
• Molecular Weight: 2500.93 g/mol
• Exact Mass: 2498.15
• IUPAC Name: N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: CC(C)(C)c1cccc(Nc2ccc3cc[nH]c3n2)c1.COc1ccc(Nc2ccc3cc[nH]c3n2)cc1.COc1cccc(Nc2ccc3cc[nH]c3n2)c1.Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Cc1ccc(Nc2ccc3cc[nH]c3n2)cc1.Cc1cccc(Nc2ccc3cc[nH]c3n2)c1.Clc1cc(Cl)cc(Nc2ccc3cc[nH]c3n2)c1.c1cc2ccc(Nc3ccc(N4CCCCC4)cc3)nc2[nH]1.c1cc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1.c1ccc(Nc2ccc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C18H20N4.C17H18N4O.C17H19N3.C15H15N3.2C14H13N3O.2C14H13N3.C14H12N2.C13H9Cl2N3/c1-2-12-22(13-3-1)16-7-5-15(6-8-16)20-17-9-4-14-10-11-19-18(14)21-17;1-6-16(20-17-13(1)7-8-18-17)19-14-2-4-15(5-3-14)21-9-11-22-12-10-21;1-17(2,3)13-5-4-6-14(11-13)19-15-8-7-12-9-10-18-16(12)20-15;1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14;1-18-12-5-3-11(4-6-12)16-13-7-2-10-8-9-15-14(10)17-13;1-18-12-4-2-3-11(9-12)16-13-6-5-10-7-8-15-14(10)17-13;1-10-2-5-12(6-3-10)16-13-7-4-11-8-9-15-14(11)17-13;1-10-3-2-4-12(9-10)16-13-6-5-11-7-8-15-14(11)17-13;1-2-4-12(5-3-1)16-13-6-7-14-11(10-13)8-9-15-14;14-9-5-10(15)7-11(6-9)17-12-2-1-8-3-4-16-13(8)18-12/h4-11H,1-3,12-13H2,(H2,19,20,21);1-8H,9-12H2,(H2,18,19,20);4-11H,1-3H3,(H2,18,19,20);2-9H,10H2,1H3,(H2,16,17,18);2*2-9H,1H3,(H2,15,16,17);2*2-9H,1H3,(H2,15,16,17);1-10,15-16H;1-7H,(H2,16,17,18)
• InChIKey: FXZAQSBHNDWKFE-UHFFFAOYSA-N
• XLogP: 37.91
• TPSA: 428.38 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2500.93
LogP ≤ 5	37.91
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 158175744) is N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

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

The canonical SMILES for N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is CC(C)(C)c1cccc(Nc2ccc3cc[nH]c3n2)c1.COc1ccc(Nc2ccc3cc[nH]c3n2)cc1.COc1cccc(Nc2ccc3cc[nH]c3n2)c1.Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.Cc1ccc(Nc2ccc3cc[nH]c3n2)cc1.Cc1cccc(Nc2ccc3cc[nH]c3n2)c1.Clc1cc(Cl)cc(Nc2ccc3cc[nH]c3n2)c1.c1cc2ccc(Nc3ccc(N4CCCCC4)cc3)nc2[nH]1.c1cc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1.c1ccc(Nc2ccc3[nH]ccc3c2)cc1.

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

The InChIKey is FXZAQSBHNDWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.C17H18N4O.C17H19N3.C15H15N3.2C14H13N3O.2C14H13N3.C14H12N2.C13H9Cl2N3/c1-2-12-22(13-3-1)16-7-5-15(6-8-16)20-17-9-4-14-10-11-19-18(14)21-17;1-6-16(20-17-13(1)7-8-18-17)19-14-2-4-15(5-3-14)21-9-11-22-12-10-21;1-17(2,3)13-5-4-6-14(11-13)19-15-8-7-12-9-10-18-16(12)20-15;1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14;1-18-12-5-3-11(4-6-12)16-13-7-2-10-8-9-15-14(10)17-13;1-18-12-4-2-3-11(9-12)16-13-6-5-10-7-8-15-14(10)17-13;1-10-2-5-12(6-3-10)16-13-7-4-11-8-9-15-14(11)17-13;1-10-3-2-4-12(9-10)16-13-6-5-11-7-8-15-14(11)17-13;1-2-4-12(5-3-1)16-13-6-7-14-11(10-13)8-9-15-14;14-9-5-10(15)7-11(6-9)17-12-2-1-8-3-4-16-13(8)18-12/h4-11H,1-3,12-13H2,(H2,19,20,21);1-8H,9-12H2,(H2,18,19,20);4-11H,1-3H3,(H2,18,19,20);2-9H,10H2,1H3,(H2,16,17,18);2*2-9H,1H3,(H2,15,16,17);2*2-9H,1H3,(H2,15,16,17);1-10,15-16H;1-7H,(H2,16,17,18).

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

N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 2500.93 g/mol, XLogP of 37.91, 25 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 158175744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).