5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile

C86H86N14O6 — CID 158814529

IUPAC5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile
SMILESCC(C)(O)c1ccc(-c2cc3c(-c4ccc(CN5CCOCC5)c(C#N)c4)nccc3[nH]2)cc1.N#Cc1cc(-c2nccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1CN1CCOCC1.N#Cc1cc(-c2nccc3[nH]c(-c4cccc(N5CCOCC5)c4)cc23)ccc1CN1CCOCC1
InChIInChI=1S/2C29H29N5O2.C28H28N4O2/c30-19-24-17-22(1-2-23(24)20-33-9-13-35-14-10-33)29-26-18-28(32-27(26)7-8-31-29)21-3-5-25(6-4-21)34-11-15-36-16-12-34;30-19-24-16-22(4-5-23(24)20-33-8-12-35-13-9-33)29-26-18-28(32-27(26)6-7-31-29)21-2-1-3-25(17-21)34-10-14-36-15-11-34;1-28(2,33)23-7-5-19(6-8-23)26-16-24-25(31-26)9-10-30-27(24)20-3-4-21(22(15-20)17-29)18-32-11-13-34-14-12-32/h1-8,17-18,32H,9-16,20H2;1-7,16-18,32H,8-15,20H2;3-10,15-16,31,33H,11-14,18H2,1-2H3
InChIKeyIVCIJBDOBLFOEE-UHFFFAOYSA-N
MW1411.73 g/mol
LogP13.70
Rot. Bonds15

About 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile

5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile (PubChem CID 158814529) has the molecular formula C86H86N14O6 and a molecular weight of 1411.73 g/mol. Its IUPAC name is 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile
PubChem CID158814529
Molecular FormulaC86H86N14O6
Molecular Weight1411.73 g/mol
Exact Mass1410.69
IUPAC Name5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile
SMILESCC(C)(O)c1ccc(-c2cc3c(-c4ccc(CN5CCOCC5)c(C#N)c4)nccc3[nH]2)cc1.N#Cc1cc(-c2nccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1CN1CCOCC1.N#Cc1cc(-c2nccc3[nH]c(-c4cccc(N5CCOCC5)c4)cc23)ccc1CN1CCOCC1
InChIInChI=1S/2C29H29N5O2.C28H28N4O2/c30-19-24-17-22(1-2-23(24)20-33-9-13-35-14-10-33)29-26-18-28(32-27(26)7-8-31-29)21-3-5-25(6-4-21)34-11-15-36-16-12-34;30-19-24-16-22(4-5-23(24)20-33-8-12-35-13-9-33)29-26-18-28(32-27(26)6-7-31-29)21-2-1-3-25(17-21)34-10-14-36-15-11-34;1-28(2,33)23-7-5-19(6-8-23)26-16-24-25(31-26)9-10-30-27(24)20-3-4-21(22(15-20)17-29)18-32-11-13-34-14-12-32/h1-8,17-18,32H,9-16,20H2;1-7,16-18,32H,8-15,20H2;3-10,15-16,31,33H,11-14,18H2,1-2H3
InChIKeyIVCIJBDOBLFOEE-UHFFFAOYSA-N
XLogP13.70
TPSA239.99 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001411.73
LogP ≤ 513.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile (CID 158814529) is 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile is CC(C)(O)c1ccc(-c2cc3c(-c4ccc(CN5CCOCC5)c(C#N)c4)nccc3[nH]2)cc1.N#Cc1cc(-c2nccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1CN1CCOCC1.N#Cc1cc(-c2nccc3[nH]c(-c4cccc(N5CCOCC5)c4)cc23)ccc1CN1CCOCC1.
What is the InChIKey of 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile?
The InChIKey is IVCIJBDOBLFOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H29N5O2.C28H28N4O2/c30-19-24-17-22(1-2-23(24)20-33-9-13-35-14-10-33)29-26-18-28(32-27(26)7-8-31-29)21-3-5-25(6-4-21)34-11-15-36-16-12-34;30-19-24-16-22(4-5-23(24)20-33-8-12-35-13-9-33)29-26-18-28(32-27(26)6-7-31-29)21-2-1-3-25(17-21)34-10-14-36-15-11-34;1-28(2,33)23-7-5-19(6-8-23)26-16-24-25(31-26)9-10-30-27(24)20-3-4-21(22(15-20)17-29)18-32-11-13-34-14-12-32/h1-8,17-18,32H,9-16,20H2;1-7,16-18,32H,8-15,20H2;3-10,15-16,31,33H,11-14,18H2,1-2H3.
What are the key properties of 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile?
5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile has a molecular weight of 1411.73 g/mol, XLogP of 13.70, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(morpholin-4-ylmethyl)benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 158814529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).