2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile

C94H97N15O11 — CID 157464344

About 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile

2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile (PubChem CID 157464344) has the molecular formula C94H97N15O11 and a molecular weight of 1612.90 g/mol. Its IUPAC name is 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile.

Molecular Properties

• Compound Name: 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile
• PubChem CID: 157464344
• Molecular Formula: C94H97N15O11
• Molecular Weight: 1612.90 g/mol
• Exact Mass: 1611.75
• IUPAC Name: 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile
• SMILES: COc1cc(-c2cc3c(-c4ccc(OC5CCNCC5)c(C#N)c4)nccc3[nH]2)ccc1N1CCOCC1.Cc1cc(N2CCOCC2)ccc1-c1cc2c(-c3ccc(OC4CCN(C(=O)CO)CC4)c(C#N)c3)nccc2[nH]1.N#Cc1cc(-c2nccc3[nH]c(-c4cccc(CN5CCOCC5)c4)cc23)ccc1OC1CCN(C(=O)CO)CC1
• InChI: InChI=1S/2C32H33N5O4.C30H31N5O3/c1-21-16-24(36-12-14-40-15-13-36)3-4-26(21)29-18-27-28(35-29)6-9-34-32(27)22-2-5-30(23(17-22)19-33)41-25-7-10-37(11-8-25)31(39)20-38;33-19-25-17-24(4-5-30(25)41-26-7-10-37(11-8-26)31(39)21-38)32-27-18-29(35-28(27)6-9-34-32)23-3-1-2-22(16-23)20-36-12-14-40-15-13-36;1-36-29-17-20(2-4-27(29)35-12-14-37-15-13-35)26-18-24-25(34-26)8-11-33-30(24)21-3-5-28(22(16-21)19-31)38-23-6-9-32-10-7-23/h2-6,9,16-18,25,35,38H,7-8,10-15,20H2,1H3;1-6,9,16-18,26,35,38H,7-8,10-15,20-21H2;2-5,8,11,16-18,23,32,34H,6-7,9-10,12-15H2,1H3
• InChIKey: BUHIRZKLLKVGSU-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 324.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1612.90
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile?

The IUPAC name of 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile (CID 157464344) is 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile.

What is the SMILES notation for 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile?

The canonical SMILES for 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile is COc1cc(-c2cc3c(-c4ccc(OC5CCNCC5)c(C#N)c4)nccc3[nH]2)ccc1N1CCOCC1.Cc1cc(N2CCOCC2)ccc1-c1cc2c(-c3ccc(OC4CCN(C(=O)CO)CC4)c(C#N)c3)nccc2[nH]1.N#Cc1cc(-c2nccc3[nH]c(-c4cccc(CN5CCOCC5)c4)cc23)ccc1OC1CCN(C(=O)CO)CC1.

What is the InChIKey of 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile?

The InChIKey is BUHIRZKLLKVGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H33N5O4.C30H31N5O3/c1-21-16-24(36-12-14-40-15-13-36)3-4-26(21)29-18-27-28(35-29)6-9-34-32(27)22-2-5-30(23(17-22)19-33)41-25-7-10-37(11-8-25)31(39)20-38;33-19-25-17-24(4-5-30(25)41-26-7-10-37(11-8-26)31(39)21-38)32-27-18-29(35-28(27)6-9-34-32)23-3-1-2-22(16-23)20-36-12-14-40-15-13-36;1-36-29-17-20(2-4-27(29)35-12-14-37-15-13-35)26-18-24-25(34-26)8-11-33-30(24)21-3-5-28(22(16-21)19-31)38-23-6-9-32-10-7-23/h2-6,9,16-18,25,35,38H,7-8,10-15,20H2,1H3;1-6,9,16-18,26,35,38H,7-8,10-15,20-21H2;2-5,8,11,16-18,23,32,34H,6-7,9-10,12-15H2,1H3.

What are the key properties of 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile?

2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile has a molecular weight of 1612.90 g/mol, XLogP of 12.98, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-[1-(2-hydroxyacetyl)piperidin-4-yl]oxy-5-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;5-[2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-piperidin-4-yloxybenzonitrile is sourced from PubChem (CID 157464344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).