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

C154H131N15O12 — CID 159298132

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

N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide (PubChem CID 159298132) has the molecular formula C154H131N15O12 and a molecular weight of 2383.83 g/mol. Its IUPAC name is N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide.

Molecular Properties

• Compound Name: N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
• PubChem CID: 159298132
• Molecular Formula: C154H131N15O12
• Molecular Weight: 2383.83 g/mol
• Exact Mass: 2382.01
• IUPAC Name: N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
• SMILES: CCCNC(=O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=C(NC1CCC(O)CC1)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=C(NC1CCCCC1)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=C(NCCO)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=C(NCc1ccccc1)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1
• InChI: InChI=1S/C33H25N3O2.C32H29N3O3.C32H29N3O2.C29H25N3O2.C28H23N3O3/c37-33(36-20-23-10-3-1-4-11-23)25-13-9-12-24(18-25)30-22-35-32-29(30)19-26(21-34-32)28-16-7-8-17-31(28)38-27-14-5-2-6-15-27;36-25-15-13-24(14-16-25)35-32(37)22-8-6-7-21(17-22)29-20-34-31-28(29)18-23(19-33-31)27-11-4-5-12-30(27)38-26-9-2-1-3-10-26;36-32(35-25-12-3-1-4-13-25)23-11-9-10-22(18-23)29-21-34-31-28(29)19-24(20-33-31)27-16-7-8-17-30(27)37-26-14-5-2-6-15-26;1-2-15-30-29(33)21-10-8-9-20(16-21)26-19-32-28-25(26)17-22(18-31-28)24-13-6-7-14-27(24)34-23-11-4-3-5-12-23;32-14-13-29-28(33)20-8-6-7-19(15-20)25-18-31-27-24(25)16-21(17-30-27)23-11-4-5-12-26(23)34-22-9-2-1-3-10-22/h1-19,21-22H,20H2,(H,34,35)(H,36,37);1-12,17-20,24-25,36H,13-16H2,(H,33,34)(H,35,37);2,5-11,14-21,25H,1,3-4,12-13H2,(H,33,34)(H,35,36);3-14,16-19H,2,15H2,1H3,(H,30,33)(H,31,32);1-12,15-18,32H,13-14H2,(H,29,33)(H,30,31)
• InChIKey: LAZIGVMGXVLJIT-UHFFFAOYSA-N
• XLogP: 34.33
• TPSA: 375.51 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 33
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.83
LogP ≤ 5	34.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide (CID 159298132) is N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide.

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

The canonical SMILES for N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide is CCCNC(=O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=C(NC1CCC(O)CC1)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=C(NC1CCCCC1)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=C(NCCO)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=C(NCc1ccccc1)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.

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

The InChIKey is LAZIGVMGXVLJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2.C32H29N3O3.C32H29N3O2.C29H25N3O2.C28H23N3O3/c37-33(36-20-23-10-3-1-4-11-23)25-13-9-12-24(18-25)30-22-35-32-29(30)19-26(21-34-32)28-16-7-8-17-31(28)38-27-14-5-2-6-15-27;36-25-15-13-24(14-16-25)35-32(37)22-8-6-7-21(17-22)29-20-34-31-28(29)18-23(19-33-31)27-11-4-5-12-30(27)38-26-9-2-1-3-10-26;36-32(35-25-12-3-1-4-13-25)23-11-9-10-22(18-23)29-21-34-31-28(29)19-24(20-33-31)27-16-7-8-17-30(27)37-26-14-5-2-6-15-26;1-2-15-30-29(33)21-10-8-9-20(16-21)26-19-32-28-25(26)17-22(18-31-28)24-13-6-7-14-27(24)34-23-11-4-3-5-12-23;32-14-13-29-28(33)20-8-6-7-19(15-20)25-18-31-27-24(25)16-21(17-30-27)23-11-4-5-12-26(23)34-22-9-2-1-3-10-22/h1-19,21-22H,20H2,(H,34,35)(H,36,37);1-12,17-20,24-25,36H,13-16H2,(H,33,34)(H,35,37);2,5-11,14-21,25H,1,3-4,12-13H2,(H,33,34)(H,35,36);3-14,16-19H,2,15H2,1H3,(H,30,33)(H,31,32);1-12,15-18,32H,13-14H2,(H,29,33)(H,30,31).

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

N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide has a molecular weight of 2383.83 g/mol, XLogP of 34.33, 33 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide is sourced from PubChem (CID 159298132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).