2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile

C25H29N5O3 — CID 171784491

IUPAC2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C#N)c2ccc(OCC3(CN4CCOCC4)CC3)nc21
InChIInChI=1S/C25H29N5O3/c1-16-3-5-20(31)17(2)22(16)30-23(27)19(13-26)18-4-6-21(28-24(18)30)33-15-25(7-8-25)14-29-9-11-32-12-10-29/h3-6,31H,7-12,14-15,27H2,1-2H3
InChIKeyMXLPSGZGZIFYOQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.29
Rot. Bonds6

About 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile

2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 171784491) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID171784491
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C#N)c2ccc(OCC3(CN4CCOCC4)CC3)nc21
InChIInChI=1S/C25H29N5O3/c1-16-3-5-20(31)17(2)22(16)30-23(27)19(13-26)18-4-6-21(28-24(18)30)33-15-25(7-8-25)14-29-9-11-32-12-10-29/h3-6,31H,7-12,14-15,27H2,1-2H3
InChIKeyMXLPSGZGZIFYOQ-UHFFFAOYSA-N
XLogP3.29
TPSA109.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile 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 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 171784491) is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile is Cc1ccc(O)c(C)c1-n1c(N)c(C#N)c2ccc(OCC3(CN4CCOCC4)CC3)nc21.
What is the InChIKey of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is MXLPSGZGZIFYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-16-3-5-20(31)17(2)22(16)30-23(27)19(13-26)18-4-6-21(28-24(18)30)33-15-25(7-8-25)14-29-9-11-32-12-10-29/h3-6,31H,7-12,14-15,27H2,1-2H3.
What are the key properties of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile?
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 447.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 171784491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).