2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile

C26H21N7O3 — CID 5279836

IUPAC2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile
SMILESCOc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(C#N)c4ccccn4)CC3)c12
InChIInChI=1S/C26H21N7O3/c1-36-21-15-32-23(20-14-28-8-9-30-20)24-22(21)18(13-31-24)25(34)26(35)33-10-5-16(6-11-33)17(12-27)19-4-2-3-7-29-19/h2-4,7-9,13-15,31H,5-6,10-11H2,1H3
InChIKeyARKTVYTYMGEUTN-UHFFFAOYSA-N
MW479.50 g/mol
LogP3.21
Rot. Bonds5

About 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile

2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile (PubChem CID 5279836) has the molecular formula C26H21N7O3 and a molecular weight of 479.50 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile
PubChem CID5279836
Molecular FormulaC26H21N7O3
Molecular Weight479.50 g/mol
Exact Mass479.17
IUPAC Name2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile
SMILESCOc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(C#N)c4ccccn4)CC3)c12
InChIInChI=1S/C26H21N7O3/c1-36-21-15-32-23(20-14-28-8-9-30-20)24-22(21)18(13-31-24)25(34)26(35)33-10-5-16(6-11-33)17(12-27)19-4-2-3-7-29-19/h2-4,7-9,13-15,31H,5-6,10-11H2,1H3
InChIKeyARKTVYTYMGEUTN-UHFFFAOYSA-N
XLogP3.21
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile 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-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile?
The IUPAC name of 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile (CID 5279836) is 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile?
The canonical SMILES for 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile is COc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(C#N)c4ccccn4)CC3)c12.
What is the InChIKey of 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile?
The InChIKey is ARKTVYTYMGEUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O3/c1-36-21-15-32-23(20-14-28-8-9-30-20)24-22(21)18(13-31-24)25(34)26(35)33-10-5-16(6-11-33)17(12-27)19-4-2-3-7-29-19/h2-4,7-9,13-15,31H,5-6,10-11H2,1H3.
What are the key properties of 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile?
2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile has a molecular weight of 479.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 5279836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).