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

C19H17BrN8O3 — CID 58417756

IUPAC1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
SMILESCOc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(Br)cnc4C3)c12
InChIInChI=1S/C19H17BrN8O3/c1-10-24-9-28(25-10)18-16-15(12(31-2)6-23-18)11(5-22-16)17(29)19(30)26-3-4-27-13(20)7-21-14(27)8-26/h5-7,9,22H,3-4,8H2,1-2H3
InChIKeyCYJAHHIWFAIVRZ-UHFFFAOYSA-N
MW485.30 g/mol
LogP1.64
Rot. Bonds4

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

1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (PubChem CID 58417756) has the molecular formula C19H17BrN8O3 and a molecular weight of 485.30 g/mol. Its IUPAC name is 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
PubChem CID58417756
Molecular FormulaC19H17BrN8O3
Molecular Weight485.30 g/mol
Exact Mass484.06
IUPAC Name1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
SMILESCOc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(Br)cnc4C3)c12
InChIInChI=1S/C19H17BrN8O3/c1-10-24-9-28(25-10)18-16-15(12(31-2)6-23-18)11(5-22-16)17(29)19(30)26-3-4-27-13(20)7-21-14(27)8-26/h5-7,9,22H,3-4,8H2,1-2H3
InChIKeyCYJAHHIWFAIVRZ-UHFFFAOYSA-N
XLogP1.64
TPSA123.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-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-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The IUPAC name of 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (CID 58417756) is 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione is COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCn4c(Br)cnc4C3)c12.
What is the InChIKey of 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The InChIKey is CYJAHHIWFAIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN8O3/c1-10-24-9-28(25-10)18-16-15(12(31-2)6-23-18)11(5-22-16)17(29)19(30)26-3-4-27-13(20)7-21-14(27)8-26/h5-7,9,22H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione has a molecular weight of 485.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione is sourced from PubChem (CID 58417756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).