5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate

C92H87FN14O14 — CID 159064361

About 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate

5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate (PubChem CID 159064361) has the molecular formula C92H87FN14O14 and a molecular weight of 1631.79 g/mol. Its IUPAC name is 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate.

Molecular Properties

• Compound Name: 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate
• PubChem CID: 159064361
• Molecular Formula: C92H87FN14O14
• Molecular Weight: 1631.79 g/mol
• Exact Mass: 1630.65
• IUPAC Name: 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate
• SMILES: COC(=O)c1ccc(-c2cc3c(-c4ccc(OC5CCN(C(=O)CO)CC5)c(C#N)c4)nccc3[nH]2)cc1.N#Cc1cc(-c2nccc3[nH]c(-c4ccc(C(=O)N5CCOCC5)cc4)cc23)ccc1OC1CCN(C(=O)CO)CC1.N#Cc1cc(-c2nccc3[nH]c(-c4ccc(N5CCOCC5)c(F)c4)cc23)ccc1OC1CCN(C(=O)CO)CC1
• InChI: InChI=1S/C32H31N5O5.C31H30FN5O4.C29H26N4O5/c33-19-24-17-23(5-6-29(24)42-25-8-11-36(12-9-25)30(39)20-38)31-26-18-28(35-27(26)7-10-34-31)21-1-3-22(4-2-21)32(40)37-13-15-41-16-14-37;32-25-16-20(1-3-28(25)36-11-13-40-14-12-36)27-17-24-26(35-27)5-8-34-31(24)21-2-4-29(22(15-21)18-33)41-23-6-9-37(10-7-23)30(39)19-38;1-37-29(36)19-4-2-18(3-5-19)25-15-23-24(32-25)8-11-31-28(23)20-6-7-26(21(14-20)16-30)38-22-9-12-33(13-10-22)27(35)17-34/h1-7,10,17-18,25,35,38H,8-9,11-16,20H2;1-5,8,15-17,23,35,38H,6-7,9-14,19H2;2-8,11,14-15,22,32,34H,9-10,12-13,17H2,1H3
• InChIKey: JYWGPHUHJKKJHF-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 375.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1631.79
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate?

The IUPAC name of 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate (CID 159064361) is 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate.

What is the SMILES notation for 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate?

The canonical SMILES for 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate is COC(=O)c1ccc(-c2cc3c(-c4ccc(OC5CCN(C(=O)CO)CC5)c(C#N)c4)nccc3[nH]2)cc1.N#Cc1cc(-c2nccc3[nH]c(-c4ccc(C(=O)N5CCOCC5)cc4)cc23)ccc1OC1CCN(C(=O)CO)CC1.N#Cc1cc(-c2nccc3[nH]c(-c4ccc(N5CCOCC5)c(F)c4)cc23)ccc1OC1CCN(C(=O)CO)CC1.

What is the InChIKey of 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate?

The InChIKey is JYWGPHUHJKKJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O5.C31H30FN5O4.C29H26N4O5/c33-19-24-17-23(5-6-29(24)42-25-8-11-36(12-9-25)30(39)20-38)31-26-18-28(35-27(26)7-10-34-31)21-1-3-22(4-2-21)32(40)37-13-15-41-16-14-37;32-25-16-20(1-3-28(25)36-11-13-40-14-12-36)27-17-24-26(35-27)5-8-34-31(24)21-2-4-29(22(15-21)18-33)41-23-6-9-37(10-7-23)30(39)19-38;1-37-29(36)19-4-2-18(3-5-19)25-15-23-24(32-25)8-11-31-28(23)20-6-7-26(21(14-20)16-30)38-22-9-12-33(13-10-22)27(35)17-34/h1-7,10,17-18,25,35,38H,8-9,11-16,20H2;1-5,8,15-17,23,35,38H,6-7,9-14,19H2;2-8,11,14-15,22,32,34H,9-10,12-13,17H2,1H3.

What are the key properties of 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate?

5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate has a molecular weight of 1631.79 g/mol, XLogP of 11.63, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxybenzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;methyl 4-[4-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]benzoate is sourced from PubChem (CID 159064361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).