1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione

C24H21N9O3 — CID 44611283

IUPAC1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione
SMILESCOc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5cccnc5)cnc4C3)c12
InChIInChI=1S/C24H21N9O3/c1-14-29-13-33(30-14)23-21-20(18(36-2)11-28-23)16(9-27-21)22(34)24(35)31-6-7-32-17(10-26-19(32)12-31)15-4-3-5-25-8-15/h3-5,8-11,13,27H,6-7,12H2,1-2H3
InChIKeyMIYNLXZSYQIRRT-UHFFFAOYSA-N
MW483.49 g/mol
LogP1.94
Rot. Bonds5

About 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione

1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione (PubChem CID 44611283) has the molecular formula C24H21N9O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione
PubChem CID44611283
Molecular FormulaC24H21N9O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione
SMILESCOc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5cccnc5)cnc4C3)c12
InChIInChI=1S/C24H21N9O3/c1-14-29-13-33(30-14)23-21-20(18(36-2)11-28-23)16(9-27-21)22(34)24(35)31-6-7-32-17(10-26-19(32)12-31)15-4-3-5-25-8-15/h3-5,8-11,13,27H,6-7,12H2,1-2H3
InChIKeyMIYNLXZSYQIRRT-UHFFFAOYSA-N
XLogP1.94
TPSA136.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione 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 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione (CID 44611283) is 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione is COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5cccnc5)cnc4C3)c12.
What is the InChIKey of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione?
The InChIKey is MIYNLXZSYQIRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9O3/c1-14-29-13-33(30-14)23-21-20(18(36-2)11-28-23)16(9-27-21)22(34)24(35)31-6-7-32-17(10-26-19(32)12-31)15-4-3-5-25-8-15/h3-5,8-11,13,27H,6-7,12H2,1-2H3.
What are the key properties of 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione?
1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione has a molecular weight of 483.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethane-1,2-dione is sourced from PubChem (CID 44611283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).