6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

C24H28FN7O2 — CID 155226196

About 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155226196) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 155226196
• Molecular Formula: C24H28FN7O2
• Molecular Weight: 465.53 g/mol
• Exact Mass: 465.23
• IUPAC Name: 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2[nH]c3cnc(N4CCN(C5COC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C24H28FN7O2/c1-14(2)19-20-17(29-22(19)15-8-18(33-3)23-27-13-28-32(23)10-15)9-26-24(21(20)25)31-6-4-30(5-7-31)16-11-34-12-16/h8-10,13-14,16,29H,4-7,11-12H2,1-3H3
• InChIKey: VAXNQOCUXZBHII-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 83.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 155226196) is 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3cnc(N4CCN(C5COC5)CC4)c(F)c3c2C(C)C)cn2ncnc12.

What is the InChIKey of 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is VAXNQOCUXZBHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-14(2)19-20-17(29-22(19)15-8-18(33-3)23-27-13-28-32(23)10-15)9-26-24(21(20)25)31-6-4-30(5-7-31)16-11-34-12-16/h8-10,13-14,16,29H,4-7,11-12H2,1-3H3.

What are the key properties of 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?

6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 465.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155226196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).