2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine

C50H44F2N16O5 — CID 157153845

About 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine

2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine (PubChem CID 157153845) has the molecular formula C50H44F2N16O5 and a molecular weight of 987.01 g/mol. Its IUPAC name is 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine.

Molecular Properties

• Compound Name: 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine
• PubChem CID: 157153845
• Molecular Formula: C50H44F2N16O5
• Molecular Weight: 987.01 g/mol
• Exact Mass: 986.36
• IUPAC Name: 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine
• SMILES: O=C(C(=O)N1CCC(c2nccn2-c2ccccc2)CC1)c1c[nH]c2c(-n3ccnn3)ncc(F)c12.O=C(O)C(=O)c1c[nH]c2c(-n3ccnn3)ncc(F)c12.c1ccc(-n2ccnc2C2CCNCC2)cc1
• InChI: InChI=1S/C25H21FN8O2.C14H17N3.C11H6FN5O3/c26-19-15-29-24(34-13-9-30-31-34)21-20(19)18(14-28-21)22(35)25(36)32-10-6-16(7-11-32)23-27-8-12-33(23)17-4-2-1-3-5-17;1-2-4-13(5-3-1)17-11-10-16-14(17)12-6-8-15-9-7-12;12-6-4-14-10(17-2-1-15-16-17)8-7(6)5(3-13-8)9(18)11(19)20/h1-5,8-9,12-16,28H,6-7,10-11H2;1-5,10-12,15H,6-9H2;1-4,13H,(H,19,20)
• InChIKey: ALOPCWVLZYDTNI-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 258.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	987.01
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine (CID 157153845) is 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine.

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

The canonical SMILES for 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine is O=C(C(=O)N1CCC(c2nccn2-c2ccccc2)CC1)c1c[nH]c2c(-n3ccnn3)ncc(F)c12.O=C(O)C(=O)c1c[nH]c2c(-n3ccnn3)ncc(F)c12.c1ccc(-n2ccnc2C2CCNCC2)cc1.

What is the InChIKey of 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine?

The InChIKey is ALOPCWVLZYDTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN8O2.C14H17N3.C11H6FN5O3/c26-19-15-29-24(34-13-9-30-31-34)21-20(19)18(14-28-21)22(35)25(36)32-10-6-16(7-11-32)23-27-8-12-33(23)17-4-2-1-3-5-17;1-2-4-13(5-3-1)17-11-10-16-14(17)12-6-8-15-9-7-12;12-6-4-14-10(17-2-1-15-16-17)8-7(6)5(3-13-8)9(18)11(19)20/h1-5,8-9,12-16,28H,6-7,10-11H2;1-5,10-12,15H,6-9H2;1-4,13H,(H,19,20).

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

2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine has a molecular weight of 987.01 g/mol, XLogP of 5.95, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetic acid;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenylimidazol-2-yl)piperidin-1-yl]ethane-1,2-dione;4-(1-phenylimidazol-2-yl)piperidine is sourced from PubChem (CID 157153845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).