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

C27H23N7O3 — CID 44610792

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

1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione (PubChem CID 44610792) has the molecular formula C27H23N7O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione.

Molecular Properties

• Compound Name: 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione
• PubChem CID: 44610792
• Molecular Formula: C27H23N7O3
• Molecular Weight: 493.53 g/mol
• Exact Mass: 493.19
• IUPAC Name: 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione
• SMILES: COc1cnc(-c2cncnc2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5ccccc5C)cnc4C3)c12
• InChI: InChI=1S/C27H23N7O3/c1-16-5-3-4-6-18(16)20-12-30-22-14-33(7-8-34(20)22)27(36)26(35)19-11-31-25-23(19)21(37-2)13-32-24(25)17-9-28-15-29-10-17/h3-6,9-13,15,31H,7-8,14H2,1-2H3
• InChIKey: WJJCYWADCBXPPG-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 118.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione?

The IUPAC name of 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione (CID 44610792) is 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-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-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione?

The canonical SMILES for 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione is COc1cnc(-c2cncnc2)c2[nH]cc(C(=O)C(=O)N3CCn4c(-c5ccccc5C)cnc4C3)c12.

What is the InChIKey of 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione?

The InChIKey is WJJCYWADCBXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O3/c1-16-5-3-4-6-18(16)20-12-30-22-14-33(7-8-34(20)22)27(36)26(35)19-11-31-25-23(19)21(37-2)13-32-24(25)17-9-28-15-29-10-17/h3-6,9-13,15,31H,7-8,14H2,1-2H3.

What are the key properties of 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione?

1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione has a molecular weight of 493.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione is sourced from PubChem (CID 44610792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).