N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide

C177H143N17O14 — CID 157413435

About N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide

N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide (PubChem CID 157413435) has the molecular formula C177H143N17O14 and a molecular weight of 2732.20 g/mol. Its IUPAC name is N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide.

Molecular Properties

• Compound Name: N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
• PubChem CID: 157413435
• Molecular Formula: C177H143N17O14
• Molecular Weight: 2732.20 g/mol
• Exact Mass: 2730.10
• IUPAC Name: N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
• SMILES: CCCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NC1CC1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NC1CCCCC1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NCCO)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NCc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1
• InChI: InChI=1S/C33H25N3O2.C32H29N3O2.C29H23N3O2.C29H25N3O2.C28H23N3O3.C26H18N2O3/c37-33(36-20-23-9-3-1-4-10-23)25-17-15-24(16-18-25)30-22-35-32-29(30)19-26(21-34-32)28-13-7-8-14-31(28)38-27-11-5-2-6-12-27;36-32(35-25-9-3-1-4-10-25)23-17-15-22(16-18-23)29-21-34-31-28(29)19-24(20-33-31)27-13-7-8-14-30(27)37-26-11-5-2-6-12-26;33-29(32-22-14-15-22)20-12-10-19(11-13-20)26-18-31-28-25(26)16-21(17-30-28)24-8-4-5-9-27(24)34-23-6-2-1-3-7-23;1-2-16-30-29(33)21-14-12-20(13-15-21)26-19-32-28-25(26)17-22(18-31-28)24-10-6-7-11-27(24)34-23-8-4-3-5-9-23;32-15-14-29-28(33)20-12-10-19(11-13-20)25-18-31-27-24(25)16-21(17-30-27)23-8-4-5-9-26(23)34-22-6-2-1-3-7-22;29-26(30)18-8-6-7-17(13-18)23-16-28-25-22(23)14-19(15-27-25)21-11-4-5-12-24(21)31-20-9-2-1-3-10-20/h1-19,21-22H,20H2,(H,34,35)(H,36,37);2,5-8,11-21,25H,1,3-4,9-10H2,(H,33,34)(H,35,36);1-13,16-18,22H,14-15H2,(H,30,31)(H,32,33);3-15,17-19H,2,16H2,1H3,(H,30,33)(H,31,32);1-13,16-18,32H,14-15H2,(H,29,33)(H,30,31);1-16H,(H,27,28)(H,29,30)
• InChIKey: BOOFJAGJURVKMH-UHFFFAOYSA-N
• XLogP: 40.58
• TPSA: 430.49 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 38
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2732.20
LogP ≤ 5	40.58
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?

The IUPAC name of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide (CID 157413435) is N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide.

What is the SMILES notation for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?

The canonical SMILES for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NC1CC1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NC1CCCCC1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NCCO)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NCc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.

What is the InChIKey of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?

The InChIKey is BOOFJAGJURVKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2.C32H29N3O2.C29H23N3O2.C29H25N3O2.C28H23N3O3.C26H18N2O3/c37-33(36-20-23-9-3-1-4-10-23)25-17-15-24(16-18-25)30-22-35-32-29(30)19-26(21-34-32)28-13-7-8-14-31(28)38-27-11-5-2-6-12-27;36-32(35-25-9-3-1-4-10-25)23-17-15-22(16-18-23)29-21-34-31-28(29)19-24(20-33-31)27-13-7-8-14-30(27)37-26-11-5-2-6-12-26;33-29(32-22-14-15-22)20-12-10-19(11-13-20)26-18-31-28-25(26)16-21(17-30-28)24-8-4-5-9-27(24)34-23-6-2-1-3-7-23;1-2-16-30-29(33)21-14-12-20(13-15-21)26-19-32-28-25(26)17-22(18-31-28)24-10-6-7-11-27(24)34-23-8-4-3-5-9-23;32-15-14-29-28(33)20-12-10-19(11-13-20)25-18-31-27-24(25)16-21(17-30-27)23-8-4-5-9-26(23)34-22-6-2-1-3-7-22;29-26(30)18-8-6-7-17(13-18)23-16-28-25-22(23)14-19(15-27-25)21-11-4-5-12-24(21)31-20-9-2-1-3-10-20/h1-19,21-22H,20H2,(H,34,35)(H,36,37);2,5-8,11-21,25H,1,3-4,9-10H2,(H,33,34)(H,35,36);1-13,16-18,22H,14-15H2,(H,30,31)(H,32,33);3-15,17-19H,2,16H2,1H3,(H,30,33)(H,31,32);1-13,16-18,32H,14-15H2,(H,29,33)(H,30,31);1-16H,(H,27,28)(H,29,30).

What are the key properties of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?

N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide has a molecular weight of 2732.20 g/mol, XLogP of 40.58, 38 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide is sourced from PubChem (CID 157413435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).