5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C131H117ClF4N24O6 — CID 160957852

About 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 160957852) has the molecular formula C131H117ClF4N24O6 and a molecular weight of 2234.98 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 160957852
• Molecular Formula: C131H117ClF4N24O6
• Molecular Weight: 2234.98 g/mol
• Exact Mass: 2232.92
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: CC(=O)Cc1cccc(Cc2cnc3[nH]ccc3c2)c1.COc1ccc(CNc2ccc3cc[nH]c3n2)cc1.COc1ccc(Nc2ccc3cc[nH]c3n2)cc1.COc1cccc(CNc2ccc3cc[nH]c3n2)c1.COc1cccc(Nc2ccc3cc[nH]c3n2)c1.Clc1ccc(Cc2cnc3[nH]ccc3c2)cc1.FC(F)(F)Oc1ccccc1CNc1ccc2cc[nH]c2n1.Fc1ccc(Cc2cnc3[nH]ccc3c2)cc1.c1ccc(Nc2ccc3cc[nH]c3n2)cc1
• InChI: InChI=1S/C17H16N2O.C15H12F3N3O.2C15H15N3O.C14H11ClN2.C14H11FN2.2C14H13N3O.C13H11N3/c1-12(20)7-13-3-2-4-14(8-13)9-15-10-16-5-6-18-17(16)19-11-15;16-15(17,18)22-12-4-2-1-3-11(12)9-20-13-6-5-10-7-8-19-14(10)21-13;1-19-13-5-2-11(3-6-13)10-17-14-7-4-12-8-9-16-15(12)18-14;1-19-13-4-2-3-11(9-13)10-17-14-6-5-12-7-8-16-15(12)18-14;2*15-13-3-1-10(2-4-13)7-11-8-12-5-6-16-14(12)17-9-11;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;1-2-4-11(5-3-1)15-12-7-6-10-8-9-14-13(10)16-12/h2-6,8,10-11H,7,9H2,1H3,(H,18,19);1-8H,9H2,(H2,19,20,21);2*2-9H,10H2,1H3,(H2,16,17,18);2*1-6,8-9H,7H2,(H,16,17);2*2-9H,1H3,(H2,15,16,17);1-9H,(H2,14,15,16)
• InChIKey: SWPXZJFJOYJDRJ-UHFFFAOYSA-N
• XLogP: 30.76
• TPSA: 393.52 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.98
LogP ≤ 5	30.76
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?

The IUPAC name of 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 160957852) is 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?

The canonical SMILES for 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is CC(=O)Cc1cccc(Cc2cnc3[nH]ccc3c2)c1.COc1ccc(CNc2ccc3cc[nH]c3n2)cc1.COc1ccc(Nc2ccc3cc[nH]c3n2)cc1.COc1cccc(CNc2ccc3cc[nH]c3n2)c1.COc1cccc(Nc2ccc3cc[nH]c3n2)c1.Clc1ccc(Cc2cnc3[nH]ccc3c2)cc1.FC(F)(F)Oc1ccccc1CNc1ccc2cc[nH]c2n1.Fc1ccc(Cc2cnc3[nH]ccc3c2)cc1.c1ccc(Nc2ccc3cc[nH]c3n2)cc1.

What is the InChIKey of 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?

The InChIKey is SWPXZJFJOYJDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.C15H12F3N3O.2C15H15N3O.C14H11ClN2.C14H11FN2.2C14H13N3O.C13H11N3/c1-12(20)7-13-3-2-4-14(8-13)9-15-10-16-5-6-18-17(16)19-11-15;16-15(17,18)22-12-4-2-1-3-11(12)9-20-13-6-5-10-7-8-19-14(10)21-13;1-19-13-5-2-11(3-6-13)10-17-14-7-4-12-8-9-16-15(12)18-14;1-19-13-4-2-3-11(9-13)10-17-14-6-5-12-7-8-16-15(12)18-14;2*15-13-3-1-10(2-4-13)7-11-8-12-5-6-16-14(12)17-9-11;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;1-2-4-11(5-3-1)15-12-7-6-10-8-9-14-13(10)16-12/h2-6,8,10-11H,7,9H2,1H3,(H,18,19);1-8H,9H2,(H2,19,20,21);2*2-9H,10H2,1H3,(H2,16,17,18);2*1-6,8-9H,7H2,(H,16,17);2*2-9H,1H3,(H2,15,16,17);1-9H,(H2,14,15,16).

What are the key properties of 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?

5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 2234.98 g/mol, XLogP of 30.76, 28 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methoxyphenyl)methyl]-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-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)phenyl]propan-2-one;N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 160957852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).