1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione

C30H24FN7O2 — CID 24875204

About 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione

1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione (PubChem CID 24875204) has the molecular formula C30H24FN7O2 and a molecular weight of 533.57 g/mol. Its IUPAC name is 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

• Compound Name: 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione
• PubChem CID: 24875204
• Molecular Formula: C30H24FN7O2
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.20
• IUPAC Name: 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione
• SMILES: O=C(C(=O)N1CCC(c2c(-c3ccccc3)[nH]c3ccccc23)CC1)c1c[nH]c2c(-n3ccnn3)ncc(F)c12
• InChI: InChI=1S/C30H24FN7O2/c31-22-17-33-29(38-15-12-34-36-38)27-25(22)21(16-32-27)28(39)30(40)37-13-10-18(11-14-37)24-20-8-4-5-9-23(20)35-26(24)19-6-2-1-3-7-19/h1-9,12,15-18,32,35H,10-11,13-14H2
• InChIKey: CHBMRTARXCUSSM-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 112.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione?

The IUPAC name of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione (CID 24875204) is 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione.

What is the SMILES notation for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione?

The canonical SMILES for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione is O=C(C(=O)N1CCC(c2c(-c3ccccc3)[nH]c3ccccc23)CC1)c1c[nH]c2c(-n3ccnn3)ncc(F)c12.

What is the InChIKey of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione?

The InChIKey is CHBMRTARXCUSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN7O2/c31-22-17-33-29(38-15-12-34-36-38)27-25(22)21(16-32-27)28(39)30(40)37-13-10-18(11-14-37)24-20-8-4-5-9-23(20)35-26(24)19-6-2-1-3-7-19/h1-9,12,15-18,32,35H,10-11,13-14H2.

What are the key properties of 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione?

1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione has a molecular weight of 533.57 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 24875204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).